A3967/0169096
TL;DR: A3967/0169096 (CAS 1005099-08-0) is a chemical compound with molecular formula C23H20ClN3O4 and molecular weight 437.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
Also Known As: A3967/0169096, 2'-(4-chlorophenyl)-5-methoxy-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione, 2'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
| Molecular Formula | C23H20ClN3O4 |
|---|---|
| Molecular Weight | 437.11 g/mol |
| LogP | 2.7798 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 437.11423 |
| Heavy Atoms | 31 |
| Complexity | 1150.0106 |
Chemical Identifiers
| CAS Number | 1005099-08-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=CC=C(C=C6)Cl |
Product Overview
A3967/0169096 (CAS 1005099-08-0), with molecular formula C23H20ClN3O4 and molecular weight 437.11 g/mol. IUPAC: 2'-(4-chlorophenyl)-5-methoxyspiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione.
Chemical Property Profile of A3967/0169096
Property Insights of A3967/0169096
The XLogP value of 2.7798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3967/0169096. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A3967/0169096. Following Lipinski's Rule of Five, A3967/0169096 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 A3967/0169096?
The CAS number of A3967/0169096 is 1005099-08-0.
What is the molecular formula of A3967/0169096?
The molecular formula of A3967/0169096 is C23H20ClN3O4.
What is the molecular weight of A3967/0169096?
The molecular weight of A3967/0169096 is 437.11 g/mol.
Where can I buy A3967/0169096?
You can request a quote for A3967/0169096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3967/0169096?
Yes, KEHONG BIO provides custom synthesis services for A3967/0169096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.