![(8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide structure](/static/products/958/958950-95-3.png)
(8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide
TL;DR: (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide (CAS 958950-95-3) is a chemical compound with molecular formula C28H23N3O4 and molecular weight 465.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,11S,12R,16S)-14-(4-methoxyphenyl)-13,15-dioxo-N-phenyl-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
Also Known As: (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide, (8S,8aR,11aS,11bS)-10-(4-methoxyphenyl)-9,11-dioxo-N-phenyl-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
| Molecular Formula | C28H23N3O4 |
|---|---|
| Molecular Weight | 465.17 g/mol |
| LogP | 3.8493 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 465.16885 |
| Heavy Atoms | 35 |
| Complexity | 1352.1301 |
Chemical Identifiers
| CAS Number | 958950-95-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)NC6=CC=CC=C6 |
Product Overview
(8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide (CAS 958950-95-3), with molecular formula C28H23N3O4 and molecular weight 465.17 g/mol. IUPAC: (1S,11S,12R,16S)-14-(4-methoxyphenyl)-13,15-dioxo-N-phenyl-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,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide
Property Insights of (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide
The XLogP value of 3.8493 indicates that (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide. Following Lipinski's Rule of Five, (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide 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,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide?
The CAS number of (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide is 958950-95-3.
What is the molecular formula of (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide?
The molecular formula of (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide is C28H23N3O4.
What is the molecular weight of (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide?
The molecular weight of (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide is 465.17 g/mol.
Where can I buy (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide?
You can request a quote for (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide 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,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide?
Yes, KEHONG BIO provides custom synthesis services for (8S,8aR,11aS,11bS)-10-(4-Methoxy-phenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3', 4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylic acid phenylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.