Orb3211274 (CAS 2609717-46-4): price, suppliers and safety

What is Orb3211274?

Plain description, key identifiers and synonyms

Orb3211274 is a chemical substance with the molecular formula C29H34N6O3 and a molar mass of 514.63 g/mol. Its CAS registry number is 2609717-46-4. The IUPAC name is 1-amino-3-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]urea.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 1-amino-3-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]urea
CAS number: 2609717-46-4
Molecular formula: C₂₉H₃₄N₆O₃
InChIKey: DTDBIRADSQQHKC-UHFFFAOYSA-N
InChI: InChI=1S/C29H34N6O3/c1-5-33(6-2)19-13-15-23-25(17-19)38-26-18-20(34(7-3)8-4)14-16-24(26)29(23)22-12-10-9-11-21(22)27(36)35(29)32-28(37)31-30/h9-18H,5-8,30H2,1-4H3,(H2,31,32,37)
SMILES (canonical and isomeric): CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)N3NC(=O)NN

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	514.63 g/molcalc.
Exact mass	514.2692 Dacalc.
LogP (octanol/water)	4.32calc.
Topological polar surface area	103.2 Å²calc.
Hydrogen bond donors	3calc.
Hydrogen bond acceptors	6calc.
Rotatable bonds	7calc.
Heavy atoms	38calc.
Rings	5calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.31calc.
Formal charge	0calc.
Stereocentres	0calc.
Lipinski rule of five	Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=C1NC2(c3ccccc3Oc3ccccc32)c2ccccc21

5 rings, 23 atoms.

14 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.

Orb3211274 suppliers

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Orb3211274 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 Orb3211274 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 Orb3211274 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

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

Mercury ion (Hg2+) fluorescent probe chemical structure, C35H37N5O2S, CAS 885481-00-5

Rhodamine B hydrazide chemical structure, C28H32N4O2, CAS 74317-53-6

N-hydroxy Rhodamine B amide chemical structure, C28H31N3O3, CAS 1115867-62-3

3',6'-Bis(diethylamino)-2-methylspiro[isoindole-1,9'-xanthen]-3(2H)-one chemical structure, C29H33N3O2, CAS 80318-90-7

2-(2-Aminoethyl)-3',6'-bis(diethylamino)spiro[isoindoline-1,9'-xanthen]-3-one chemical structure, C30H36N4O2, CAS 950846-89-6

3',6'-Bis(diethylamino)-2-phenylspiro(isoindole-3,9'-xanthene)-1-one chemical structure, C34H35N3O2, CAS 38660-35-4

3',6'-Bis(diethylamino)-2-[(E)-4-oxopentan-2-ylideneamino]spiro[isoindole-3,9'-xanthene]-1-one chemical structure, C33H38N4O3, CAS 1391913-90-8

RB-Opd chemical structure, C34H36N4O2, CAS 1034863-51-8

61% similar

RB-Opd1034863-51-8C₃₄H₃₆N₄O₂

Same formula isomers

Different compounds that share this molecular formula

All isomers

(R)-3-(4-(Aminomethyl)phenyl)-6-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)methyl)-2-methyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one chemical structure, C29H34N6O3, CAS 2196243-57-7

(R)-3-(4-(Aminomethyl)phenyl)-6-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)methyl)-2-methyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one2196243-57-7C₂₉H₃₄N₆O₃

1H-Pyrazolo[3,4-b]pyridine-4-carboxaMide, N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-1-(1-Methylethyl)-6-[4-(4-MorpholinylMethyl)phenyl]- chemical structure, C29H34N6O3, CAS 1396770-08-3

1H-Pyrazolo[3,4-b]pyridine-4-carboxaMide, N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-1-(1-Methylethyl)-6-[4-(4-MorpholinylMethyl)phenyl]-1396770-08-3C₂₉H₃₄N₆O₃

N-[(4-Ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-3-(prop-2-enoylamino)benzamide chemical structure, C29H34N6O3, CAS 2609675-22-9

N-[(4-Ethyl-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(6-piperazin-1-yl-3-pyridinyl)-3-(prop-2-enoylamino)benzamide2609675-22-9C₂₉H₃₄N₆O₃

8-{[4-(Diphenylmethyl)piperazinyl]methyl}-1,3-dimethyl-7-(1-methyl-2-oxopropyl)-1,3,7-trihydropurine-2,6-dione chemical structure, C29H34N6O3, CAS 868213-94-9

8-{[4-(Diphenylmethyl)piperazinyl]methyl}-1,3-dimethyl-7-(1-methyl-2-oxopropyl)-1,3,7-trihydropurine-2,6-dione868213-94-9C₂₉H₃₄N₆O₃

Egfr-IN-26 chemical structure, C29H34N6O3, CAS 2375470-64-5

Egfr-IN-262375470-64-5C₂₉H₃₄N₆O₃

Phenyl 3-desethyl 3-propyl carbodenafil chemical structure, C29H34N6O3, CAS 2711006-61-8

Phenyl 3-desethyl 3-propyl carbodenafil2711006-61-8C₂₉H₃₄N₆O₃1 supplier

1-{3-[4-(4-Acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-(3-methylbutyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one chemical structure, C29H34N6O3, CAS 902931-49-1

1-{3-[4-(4-Acetylphenyl)piperazin-1-yl]-3-oxopropyl}-4-(3-methylbutyl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one902931-49-1C₂₉H₃₄N₆O₃

(R)-tert-Butyl 3-(6-(dibenzylamino)-8-oxo-7H-purin-9(8H)-yl)piperidine-1-carboxylate chemical structure, C29H34N6O3, CAS 1448999-68-5

(R)-tert-Butyl 3-(6-(dibenzylamino)-8-oxo-7H-purin-9(8H)-yl)piperidine-1-carboxylate1448999-68-5C₂₉H₃₄N₆O₃

tert-Butyl 4-(4-(4-(1H-indol-4-ylamino)-5-methylpyrimidin-2-ylamino)phenoxy)piperidine-1-carboxylate chemical structure, C29H34N6O3, CAS 936092-84-1

tert-Butyl 4-(4-(4-(1H-indol-4-ylamino)-5-methylpyrimidin-2-ylamino)phenoxy)piperidine-1-carboxylate936092-84-1C₂₉H₃₄N₆O₃

7-(5-Deoxy-|A-D-ribofuranosyl)-5-phenyl-N-[4-[2-(1-piperazinyl)Ethyl-]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine chemical structure, C29H34N6O3, CAS 186301-57-5

7-(5-Deoxy-|A-D-ribofuranosyl)-5-phenyl-N-[4-[2-(1-piperazinyl)Ethyl-]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine186301-57-5C₂₉H₃₄N₆O₃

2-(2-Methoxyethylamino)-4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide chemical structure, C29H34N6O3, CAS 1231250-93-3

2-(2-Methoxyethylamino)-4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide1231250-93-3C₂₉H₃₄N₆O₃

tert-Butyl (1-(2-(4-(benzyloxy)phenyl)-3,4-dimethyl-2H-pyrazolo[3,4-D]pyridazin-7-yl)pyrrolidin-3-yl)carbamate chemical structure, C29H34N6O3, CAS 2469548-62-5

tert-Butyl (1-(2-(4-(benzyloxy)phenyl)-3,4-dimethyl-2H-pyrazolo[3,4-D]pyridazin-7-yl)pyrrolidin-3-yl)carbamate2469548-62-5C₂₉H₃₄N₆O₃

Frequently asked questions

Quick answers about Orb3211274, based on the data on this page

What is Orb3211274?

Orb3211274 is a chemical substance with the molecular formula C29H34N6O3 and a molar mass of 514.63 g/mol. Its CAS registry number is 2609717-46-4. The IUPAC name is 1-amino-3-[3',6'-bis(diethylamino)-3-oxospiro[isoindole-1,9'-xanthene]-2-yl]urea.

What is the CAS number of Orb3211274?

The CAS registry number of Orb3211274 is 2609717-46-4.

What is the molecular formula and weight of Orb3211274?

The molecular formula of Orb3211274 is C29H34N6O3 and its molar mass is 514.63 g/mol.

What is Orb3211274 used for?

Known uses and roles of Orb3211274 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3211274 hazardous?

No GHS hazard classification for Orb3211274 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 Orb3211274?

Orb3211274 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 Orb3211274?

Post a free request on CompoundList and suppliers of Orb3211274 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3211274?

Suppliers quote Orb3211274 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Orb3211274

Key facts

What is Orb3211274?

Identifiers

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Orb3211274 suppliers

Orb3211274 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Orb3211274?

What is the CAS number of Orb3211274?

What is the molecular formula and weight of Orb3211274?

What is Orb3211274 used for?

Is Orb3211274 hazardous?

What is the HS code of Orb3211274?

Where can I buy Orb3211274?

What is the price of Orb3211274?

Guides for buyers

Get quotes for Orb3211274

Key facts

What is Orb3211274?

Identifiers

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Orb3211274 suppliers

Orb3211274 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is Orb3211274?

What is the CAS number of Orb3211274?

What is the molecular formula and weight of Orb3211274?

What is Orb3211274 used for?

Is Orb3211274 hazardous?

What is the HS code of Orb3211274?

Where can I buy Orb3211274?

What is the price of Orb3211274?

Guides for buyers

Get quotes for Orb3211274