Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate
TL;DR: Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate (CAS 13164-89-1) is a chemical compound with molecular formula C17H20N4O5 and molecular weight 360.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,6S,7R,8S)-11-(aziridin-1-yl)-7-hydroxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Also Known As: Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate, [(1aS,8S,8aR,8bS)-6-(Aziridin-1-yl)-8a-hydroxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate, [6-(Aziridin-1-yl)-8a-hydroxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
| Molecular Formula | C17H20N4O5 |
|---|---|
| Molecular Weight | 360.14 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.14337 |
| Heavy Atoms | 26 |
| Complexity | 844.0 |
Chemical Identifiers
| CAS Number | 13164-89-1 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)O)N4C)N5CC5 |
| InChIKey | RPCXKWKNOYTMEO-JZWICRQDSA-N |
Product Overview
Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate (CAS 13164-89-1), with molecular formula C17H20N4O5 and molecular weight 360.14 g/mol. IUPAC: [(4S,6S,7R,8S)-11-(aziridin-1-yl)-7-hydroxy-5,12-dimethyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate.
Chemical Property Profile of Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate
Property Insights of Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate
The XLogP value of -0.3 indicates that Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate. Following Lipinski's Rule of Five, Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate?
The CAS number of Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate is 13164-89-1.
What is the molecular formula of Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate?
The molecular formula of Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate is C17H20N4O5.
What is the molecular weight of Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate?
The molecular weight of Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate is 360.14 g/mol.
Where can I buy Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate?
You can request a quote for Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate?
Yes, KEHONG BIO provides custom synthesis services for Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(1-aziridinyl)-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.