Avanafil impurity 28 (CAS 330784-50-4): suppliers and price

What is Avanafil impurity 28?

Plain description, key identifiers and synonyms

Avanafil impurity 28 is a chemical substance with the molecular formula C23H27N7O3 and a molar mass of 449.52 g/mol. Its CAS registry number is 330784-50-4. The IUPAC name is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
CAS number: 330784-50-4
Molecular formula: C₂₃H₂₇N₇O₃
InChIKey: SLDZWDGMJFBYLK-KRWDZBQOSA-N
InChI: InChI=1S/C23H27N7O3/c1-33-18-7-5-16(6-8-18)12-26-21-19(22(32)27-14-20-24-9-3-10-25-20)13-28-23(29-21)30-11-2-4-17(30)15-31/h3,5-10,13,17,31H,2,4,11-12,14-15H2,1H3,(H,27,32)(H,26,28,29)/t17-/m0/s1
Canonical SMILES: COc1ccc(CNc2nc(N3CCCC3CO)ncc2C(=O)NCc2ncccn2)cc1
Isomeric SMILES: COC1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO

Synonyms

3-Deschloro Avanafil
Avanafil Impurity L
(S)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)-4-((4-methoxybenzyl)amino)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
Avanafil Impurity 6
Avanafilimpurity28
(S)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)-4-((4-methoxybenzyl)amino)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide? (Avanafil Impurity

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	449.52 g/molcalc.
Exact mass	449.2175 Dacalc.
LogP (octanol/water)	1.78calc.
Topological polar surface area	125.4 Å²calc.
Hydrogen bond donors	3calc.
Hydrogen bond acceptors	9calc.
Rotatable bonds	9calc.
Heavy atoms	33calc.
Rings	4calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.35calc.
Formal charge	0calc.
Stereocentres	1calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C(NCc1ncccn1)c1cnc(N2CCCC2)nc1NCc1ccccc1

4 rings, 29 atoms.

15 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Avanafil impurity 28 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024

$18.4B

+10.5% vs 2023, imports $24.8B

2019 to 2024

Top exporters

Ireland43.6%
Switzerland * partner reported26.3%
China7.9%

Top importers

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Avanafil impurity 28 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Stereoisomers and isotopic forms

Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)

(R)-2-(2-(Hydroxymethyl)pyrrolidin-1-yl)-4-((4-methoxybenzyl)amino)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide chemical structure, C23H27N7O3, CAS 2250242-21-6

(R)-2-(2-(Hydroxymethyl)pyrrolidin-1-yl)-4-((4-methoxybenzyl)amino)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide2250242-21-6C₂₃H₂₇N₇O₃

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Avanafil impurity 11 chemical structure, C22H25N7O2, CAS 1643811-30-6

Avanafil impurity 24 chemical structure, C18H22N4O4, CAS 2250241-67-7

(S)-2-(2-(Hydroxymethyl)pyrrolidin-1-yl)-4-((4-methoxybenzyl)amino)pyrimidine-5-carboxylic acid chemical structure, C18H22N4O4, CAS 2250242-42-1

Avanafil chemical structure, C23H26ClN7O3, CAS 330784-47-9

4-((3-Chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide chemical structure, C23H26ClN7O3, CAS 1706458-94-7

Avanafil-13C5,15N chemical structure, C23H26ClN7O3, CAS 1276495-36-3

R-Avanafil chemical structure, C23H26ClN7O3, CAS 1638497-26-3

79% similar

R-Avanafil1638497-26-3C₂₃H₂₆ClN₇O₃

(S)-4-((2-Chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide chemical structure, C23H26ClN7O3, CAS 2520114-34-3

2-[(2S)-2-(Hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide chemical structure, C18H23N5O3, CAS 2250243-09-3

2-[(2R)-2-(Hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide chemical structure, C18H23N5O3, CAS 2250242-49-8

Same formula isomers

Different compounds that share this molecular formula

All isomers

6-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine chemical structure, C23H27N7O3, CAS 774591-56-9

6-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine774591-56-9C₂₃H₂₇N₇O₃

N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidin-4-yl)piperazine-1-carboxamide chemical structure, C23H27N7O3, CAS 1172078-65-7

N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-4-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpyrimidin-4-yl)piperazine-1-carboxamide1172078-65-7C₂₃H₂₇N₇O₃

N-(2-((2-Methyl-6-morpholinopyrimidin-4-yl)amino)ethyl)-4-((4-methylpyrimidin-2-yl)oxy)benzamide chemical structure, C23H27N7O3, CAS 1334373-05-5

N-(2-((2-Methyl-6-morpholinopyrimidin-4-yl)amino)ethyl)-4-((4-methylpyrimidin-2-yl)oxy)benzamide1334373-05-5C₂₃H₂₇N₇O₃

Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(3-(4-phenyl-1-piperazinyl)propyl)- chemical structure, C23H27N7O3, CAS 165898-59-9

Pyrimido(2,1-f)purine-2,4,8(1H,3H,9H)-trione, 1,3-dimethyl-9-(3-(4-phenyl-1-piperazinyl)propyl)-165898-59-9C₂₃H₂₇N₇O₃

1'-(5,7-Dioxo-6-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-2-yl)-1,4'-bipiperidine-4'-carboxamide chemical structure, C23H27N7O3, CAS 1396876-11-1

1'-(5,7-Dioxo-6-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-2-yl)-1,4'-bipiperidine-4'-carboxamide1396876-11-1C₂₃H₂₇N₇O₃

2-(4-Benzylpiperazin-1-yl)-N4-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine chemical structure, C23H27N7O3, CAS 674363-19-0

2-(4-Benzylpiperazin-1-yl)-N4-(4-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine674363-19-0C₂₃H₂₇N₇O₃

N-(4-Amino-6-{[4-(3-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)amine chemical structure, C23H27N7O3, CAS 827007-27-2

N-(4-Amino-6-{[4-(3-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)amine827007-27-2C₂₃H₂₇N₇O₃

N-(4-Amino-6-{[4-(4-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)amine chemical structure, C23H27N7O3, CAS 827007-33-0

N-(4-Amino-6-{[4-(4-methoxyphenyl)piperazino]methyl}-1,3,5-triazin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)amine827007-33-0C₂₃H₂₇N₇O₃

2-(3-Methyl-2,6-dioxo-7-(3-phenylpropyl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide chemical structure, C23H27N7O3, CAS 1013990-19-6

2-(3-Methyl-2,6-dioxo-7-(3-phenylpropyl)-8-(3,4,5-trimethyl-1H-pyrazol-1-yl)-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide1013990-19-6C₂₃H₂₇N₇O₃

2-(8-(3,5-Diethyl-1H-pyrazol-1-yl)-3-methyl-7-(2-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide chemical structure, C23H27N7O3, CAS 1013773-29-9

2-(8-(3,5-Diethyl-1H-pyrazol-1-yl)-3-methyl-7-(2-methylbenzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetamide1013773-29-9C₂₃H₂₇N₇O₃

(1-(6-(1H-1,2,4-Triazol-1-yl)pyrimidin-4-yl)piperidin-4-yl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone chemical structure, C23H27N7O3, CAS 1798039-90-3

(1-(6-(1H-1,2,4-Triazol-1-yl)pyrimidin-4-yl)piperidin-4-yl)(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone1798039-90-3C₂₃H₂₇N₇O₃

6-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine chemical structure, C23H27N7O3, CAS 827005-77-6

6-{[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine827005-77-6C₂₃H₂₇N₇O₃

Frequently asked questions

Quick answers about Avanafil impurity 28, based on the data on this page

What is Avanafil impurity 28?

Avanafil impurity 28 is a chemical substance with the molecular formula C23H27N7O3 and a molar mass of 449.52 g/mol. Its CAS registry number is 330784-50-4. The IUPAC name is 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-[(4-methoxyphenyl)methylamino]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide.

What is the CAS number of Avanafil impurity 28?

The CAS registry number of Avanafil impurity 28 is 330784-50-4.

What is the molecular formula and weight of Avanafil impurity 28?

The molecular formula of Avanafil impurity 28 is C23H27N7O3 and its molar mass is 449.52 g/mol.

Is Avanafil impurity 28 hazardous?

No GHS hazard classification for Avanafil impurity 28 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Avanafil impurity 28?

Avanafil impurity 28 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Avanafil impurity 28?

Post a free request on CompoundList and suppliers of Avanafil impurity 28 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Avanafil impurity 28?

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Avanafil impurity 28

Key facts

What is Avanafil impurity 28?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Avanafil impurity 28 suppliers

Avanafil impurity 28 price

Uses and applications

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Avanafil impurity 28?

What is the CAS number of Avanafil impurity 28?

What is the molecular formula and weight of Avanafil impurity 28?

Is Avanafil impurity 28 hazardous?

What is the HS code of Avanafil impurity 28?

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Key facts

What is Avanafil impurity 28?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Avanafil impurity 28 suppliers

Avanafil impurity 28 price

Uses and applications

Regulatory status

HS code and trade data

Global trade

Related chemicals

Stereoisomers and isotopic forms

Similar structures

Same formula isomers

Frequently asked questions

What is Avanafil impurity 28?

What is the CAS number of Avanafil impurity 28?

What is the molecular formula and weight of Avanafil impurity 28?

Is Avanafil impurity 28 hazardous?

What is the HS code of Avanafil impurity 28?

Where can I buy Avanafil impurity 28?

What is the price of Avanafil impurity 28?

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