![(8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide structure](/static/products/958/958965-63-4.png)
(8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
TL;DR: (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide (CAS 958965-63-4) is a chemical compound with molecular formula C28H29N3O4 and molecular weight 471.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11S,12R,16S)-14-cyclohexyl-N-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
Also Known As: (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
| Molecular Formula | C28H29N3O4 |
|---|---|
| Molecular Weight | 471.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.21582 |
| Heavy Atoms | 35 |
| Complexity | 875.0 |
Chemical Identifiers
| CAS Number | 958965-63-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3[C@@H](C4N2C=CC5=CC=CC=C45)C(=O)N(C3=O)C6CCCCC6 |
| InChIKey | LYIVDCCDLKARIB-NPZNXQLHSA-N |
Product Overview
(8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide (CAS 958965-63-4), with molecular formula C28H29N3O4 and molecular weight 471.22 g/mol. IUPAC: (11S,12R,16S)-14-cyclohexyl-N-(4-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide.
Chemical Property Profile of (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Property Insights of (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
The XLogP value of 3.6 indicates that (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide. Following Lipinski's Rule of Five, (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide has 1 hydrogen bond donor(s) and 5 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 (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide?
The CAS number of (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide is 958965-63-4.
What is the molecular formula of (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide?
The molecular formula of (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide is C28H29N3O4.
What is the molecular weight of (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide?
The molecular weight of (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide is 471.22 g/mol.
Where can I buy (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide?
You can request a quote for (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (8S,8aR,11aS)-10-cyclohexyl-N-(4-methoxyphenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.