A3913/0166454
TL;DR: A3913/0166454 (CAS 1005161-55-6) is a chemical compound with molecular formula C22H17Cl2N3O3 and molecular weight 441.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2'-(4-chlorophenyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
Also Known As: A3913/0166454, 5-chloro-2'-(4-chlorophenyl)-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, 5-chloro-2'-(4-chlorophenyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione
| Molecular Formula | C22H17Cl2N3O3 |
|---|---|
| Molecular Weight | 441.06 g/mol |
| LogP | 3.4246 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 441.0647 |
| Heavy Atoms | 30 |
| Complexity | 1134.9478 |
Chemical Identifiers
| CAS Number | 1005161-55-6 |
|---|---|
| SMILES | C1CC2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5(N2C1)C6=C(C=CC(=C6)Cl)NC5=O |
Product Overview
A3913/0166454 (CAS 1005161-55-6), with molecular formula C22H17Cl2N3O3 and molecular weight 441.06 g/mol. IUPAC: 5-chloro-2'-(4-chlorophenyl)spiro[1H-indole-3,4'-3a,6,7,8,8a,8b-hexahydropyrrolo[3,4-a]pyrrolizine]-1',2,3'-trione.
Chemical Property Profile of A3913/0166454
Property Insights of A3913/0166454
The XLogP value of 3.4246 indicates that A3913/0166454 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for A3913/0166454. Following Lipinski's Rule of Five, A3913/0166454 has 1 hydrogen bond donor(s) and 4 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 A3913/0166454?
The CAS number of A3913/0166454 is 1005161-55-6.
What is the molecular formula of A3913/0166454?
The molecular formula of A3913/0166454 is C22H17Cl2N3O3.
What is the molecular weight of A3913/0166454?
The molecular weight of A3913/0166454 is 441.06 g/mol.
Where can I buy A3913/0166454?
You can request a quote for A3913/0166454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3913/0166454?
Yes, KEHONG BIO provides custom synthesis services for A3913/0166454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.