BAS 00865548
TL;DR: BAS 00865548 (CAS 185409-88-5) is a chemical compound with molecular formula C27H22ClN3OS and molecular weight 471.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00865548, 6-(benzylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide, 6-(benzylthio)-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide, 6-benzylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C27H22ClN3OS |
|---|---|
| Molecular Weight | 471.12 g/mol |
| LogP | 6.60808 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.11722 |
| Heavy Atoms | 33 |
| Complexity | 1263.2838 |
Chemical Identifiers
| CAS Number | 185409-88-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC2=CC=CC=C2)C#N)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4 |
Product Overview
BAS 00865548 (CAS 185409-88-5), with molecular formula C27H22ClN3OS and molecular weight 471.12 g/mol. IUPAC: 6-benzylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00865548
Property Insights of BAS 00865548
The XLogP value of 6.60808 indicates that BAS 00865548 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865548. Following Lipinski's Rule of Five, BAS 00865548 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00865548?
The CAS number of BAS 00865548 is 185409-88-5.
What is the molecular formula of BAS 00865548?
The molecular formula of BAS 00865548 is C27H22ClN3OS.
What is the molecular weight of BAS 00865548?
The molecular weight of BAS 00865548 is 471.12 g/mol.
Where can I buy BAS 00865548?
You can request a quote for BAS 00865548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865548?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.