Orb2665161 (CAS 3044779-14-5): price, suppliers and safety

What is Orb2665161?

Plain description, key identifiers and synonyms

Orb2665161 is a chemical substance with the molecular formula C22H27N5O4 and a molar mass of 425.49 g/mol. Its CAS registry number is 3044779-14-5. The IUPAC name is 4-[8-[(3R)-1-ethylpiperidin-3-yl]-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl]-3-hydroxy-5-methylbenzonitrile, formic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 4-[8-[(3R)-1-ethylpiperidin-3-yl]-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl]-3-hydroxy-5-methylbenzonitrile, formic acid
CAS number: 3044779-14-5
Molecular formula: C₂₂H₂₇N₅O₄
InChIKey: AOAQHROKWVFKRW-PKLMIRHRSA-N
InChI: InChI=1S/C21H25N5O2.CH2O2/c1-3-25-6-4-5-16(13-25)26-7-8-28-19-11-17(23-24-21(19)26)20-14(2)9-15(12-22)10-18(20)27;2-1-3/h9-11,16,27H,3-8,13H2,1-2H3;1H,(H,2,3)/t16-;/m1./s1
Canonical SMILES: CCN1CCCC(N2CCOc3cc(-c4c(C)cc(C#N)cc4O)nnc32)C1.O=CO
Isomeric SMILES: CCN1CCC[C@H](C1)N2CCOC3=CC(=NN=C32)C4=C(C=C(C=C4C)C#N)O.C(=O)O

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	425.49 g/molcalc.
Exact mass	425.2063 Dacalc.
LogP (octanol/water)	2.41calc.
Topological polar surface area	122.8 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	8calc.
Rotatable bonds	3calc.
Heavy atoms	31calc.
Rings	4calc.
Aromatic rings	2calc.
Fraction sp3 carbons	0.46calc.
Formal charge	0calc.
Stereocentres	1calc.
Components	2calc.
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

c1ccc(-c2cc3c(nn2)N(C2CCCNC2)CCO3)cc1

4 rings, 22 atoms.

No other chemical in our database has 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.

Orb2665161 suppliers

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Orb2665161 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

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 Orb2665161 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024

$26.7B

+15.0% vs 2023, imports $26.3B

2019 to 2024

Top exporters

Ireland26.3%
China15.7%
Singapore10.3%

Top importers

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

The HS code shown for Orb2665161 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

Same formula isomers

Different compounds that share this molecular formula

All isomers

2-Amino-8-(4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido(2,3-d)pyrimidin-7(8H)-one chemical structure, C22H27N5O4, CAS 1013101-36-4

2-Amino-8-(4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido(2,3-d)pyrimidin-7(8H)-one1013101-36-4C₂₂H₂₇N₅O₄7 suppliers

Losoxantrone chemical structure, C22H27N5O4, CAS 88303-60-0

Losoxantrone88303-60-0C₂₂H₂₇N₅O₄

2-Imino-1-(3-methoxy-propyl)-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide chemical structure, C22H27N5O4, CAS 510762-77-3

2-Imino-1-(3-methoxy-propyl)-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide510762-77-3C₂₂H₂₇N₅O₄

N''-Cyano-N-(6-amino-3,4-dihydro-3-hydroxy-2-methyl-2-dimethoxymethyl-2H-benzopyran-4-yl)-N'-benzylguanidine chemical structure, C22H27N5O4, CAS 335381-68-5

N''-Cyano-N-(6-amino-3,4-dihydro-3-hydroxy-2-methyl-2-dimethoxymethyl-2H-benzopyran-4-yl)-N'-benzylguanidine335381-68-5C₂₂H₂₇N₅O₄

$6-Imino-7-(3-methoxypropyl)-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide chemical structure, C22H27N5O4, CAS 842964-31-2$

6-Imino-7-(3-methoxypropyl)-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide842964-31-2C₂₂H₂₇N₅O₄

Ethyl 4-(2-(2-(5-isopropyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)acetyl)piperazine-1-carboxylate chemical structure, C22H27N5O4, CAS 942006-05-5

Ethyl 4-(2-(2-(5-isopropyl-1,3,4-oxadiazol-2-yl)-1H-indol-1-yl)acetyl)piperazine-1-carboxylate942006-05-5C₂₂H₂₇N₅O₄

1-Piperazinepropanamide, N-(4-((ethoxyoxoacetyl)amino)phenyl)-4-(2-pyridinyl)- chemical structure, C22H27N5O4, CAS 86523-81-1

1-Piperazinepropanamide, N-(4-((ethoxyoxoacetyl)amino)phenyl)-4-(2-pyridinyl)-86523-81-1C₂₂H₂₇N₅O₄

N-(2-((3-(3,4-Dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy)ethyl)cyclohexanecarboxamide chemical structure, C22H27N5O4, CAS 1021125-57-4

N-(2-((3-(3,4-Dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy)ethyl)cyclohexanecarboxamide1021125-57-4C₂₂H₂₇N₅O₄

(R)-4-(8-Cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-ylamino)-3-methoxybenzoic acid chemical structure, C22H27N5O4, CAS 755039-56-6

(R)-4-(8-Cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-ylamino)-3-methoxybenzoic acid755039-56-6C₂₂H₂₇N₅O₄

3,4-Diethoxy-N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)benzamide chemical structure, C22H27N5O4, CAS 1002958-38-4

3,4-Diethoxy-N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)benzamide1002958-38-4C₂₂H₂₇N₅O₄

Thalidomide-piperazine-piperidine chemical structure, C22H27N5O4, CAS 2229716-11-2

Thalidomide-piperazine-piperidine2229716-11-2C₂₂H₂₇N₅O₄

L-Phenylalaninamide, L-phenylalanylglycylglycyl- chemical structure, C22H27N5O4, CAS 173910-41-3

L-Phenylalaninamide, L-phenylalanylglycylglycyl-173910-41-3C₂₂H₂₇N₅O₄

Frequently asked questions

Quick answers about Orb2665161, based on the data on this page

What is Orb2665161?

Orb2665161 is a chemical substance with the molecular formula C22H27N5O4 and a molar mass of 425.49 g/mol. Its CAS registry number is 3044779-14-5. The IUPAC name is 4-[8-[(3R)-1-ethylpiperidin-3-yl]-6,7-dihydropyridazino[4,3-b][1,4]oxazin-3-yl]-3-hydroxy-5-methylbenzonitrile, formic acid.

What is the CAS number of Orb2665161?

The CAS registry number of Orb2665161 is 3044779-14-5.

What is the molecular formula and weight of Orb2665161?

The molecular formula of Orb2665161 is C22H27N5O4 and its molar mass is 425.49 g/mol.

What is Orb2665161 used for?

Known uses and roles of Orb2665161 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb2665161 hazardous?

No GHS hazard classification for Orb2665161 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 Orb2665161?

Orb2665161 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2665161?

Post a free request on CompoundList and suppliers of Orb2665161 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2665161?

Suppliers quote Orb2665161 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Orb2665161

Key facts

What is Orb2665161?

Identifiers

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Orb2665161 suppliers

Orb2665161 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Orb2665161?

What is the CAS number of Orb2665161?

What is the molecular formula and weight of Orb2665161?

What is Orb2665161 used for?

Is Orb2665161 hazardous?

What is the HS code of Orb2665161?

Where can I buy Orb2665161?

What is the price of Orb2665161?

Guides for buyers

Get quotes for Orb2665161

Key facts

What is Orb2665161?

Identifiers

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Orb2665161 suppliers

Orb2665161 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Same formula isomers

Frequently asked questions

What is Orb2665161?

What is the CAS number of Orb2665161?

What is the molecular formula and weight of Orb2665161?

What is Orb2665161 used for?

Is Orb2665161 hazardous?

What is the HS code of Orb2665161?

Where can I buy Orb2665161?

What is the price of Orb2665161?

Guides for buyers

Get quotes for Orb2665161