![[(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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 structure](/static/products/5091/5091-32-7.webp)
[(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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
TL;DR: [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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 (CAS 5091-32-7) is a chemical compound with molecular formula C22H24N4O7S and molecular weight 488.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,6R,7R,8S)-11-amino-7-methoxy-12-methyl-5-(4-methylphenyl)sulfonyl-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: [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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|Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-amino-8-(hydroxymethyl)-8a-methoxy-5-methyl-1-(p-tolylsulfonyl)-, carbamate (beta)
| Molecular Formula | C22H24N4O7S |
|---|---|
| Molecular Weight | 488.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.13657 |
| Heavy Atoms | 34 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 5091-32-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3[C@@H]2[C@@]4([C@@H](C5=C(N4C3)C(=O)C(=C(C5=O)N)C)COC(=O)N)OC |
| InChIKey | WWBNQTBDBRHPRV-GZFIFMBNSA-N |
Product Overview
[(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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 (CAS 5091-32-7), with molecular formula C22H24N4O7S and molecular weight 488.14 g/mol. IUPAC: [(4S,6R,7R,8S)-11-amino-7-methoxy-12-methyl-5-(4-methylphenyl)sulfonyl-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 [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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
Property Insights of [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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. The TPSA of 170.0 Ų indicates high polarity, suggesting [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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 has 2 hydrogen bond donor(s) and 10 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 [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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?
The CAS number of [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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 is 5091-32-7.
What is the molecular formula of [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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?
The molecular formula of [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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 is C22H24N4O7S.
What is the molecular weight of [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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?
The molecular weight of [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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 is 488.14 g/mol.
Where can I buy [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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?
You can request a quote for [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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?
Yes, KEHONG BIO provides custom synthesis services for [(1aS,8S,8aR,8bR)-6-Amino-8a-methoxy-5-methyl-1-(4-methylbenzene-1-sulfonyl)-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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.