BAS 00865680
TL;DR: BAS 00865680 (CAS 185409-93-2) is a chemical compound with molecular formula C23H22ClN3OS and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-propylsulfanyl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00865680, AE-848/33766040, 4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-propylsulfanyl-1,4-dihydropyridine-3-carboxamide, 4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-(propylsulfanyl)-1,4-dihydro-3-pyridinecarboxamide, 4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-(propylsulfanyl)-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C23H22ClN3OS |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 5.81788 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.11722 |
| Heavy Atoms | 29 |
| Complexity | 1008.2831 |
Chemical Identifiers
| CAS Number | 185409-93-2 |
|---|---|
| SMILES | CCCSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3Cl)C#N |
Product Overview
BAS 00865680 (CAS 185409-93-2), with molecular formula C23H22ClN3OS and molecular weight 423.12 g/mol. IUPAC: 4-(2-chlorophenyl)-5-cyano-2-methyl-N-phenyl-6-propylsulfanyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00865680
Property Insights of BAS 00865680
The XLogP value of 5.81788 indicates that BAS 00865680 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 00865680. Following Lipinski's Rule of Five, BAS 00865680 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 00865680?
The CAS number of BAS 00865680 is 185409-93-2.
What is the molecular formula of BAS 00865680?
The molecular formula of BAS 00865680 is C23H22ClN3OS.
What is the molecular weight of BAS 00865680?
The molecular weight of BAS 00865680 is 423.12 g/mol.
Where can I buy BAS 00865680?
You can request a quote for BAS 00865680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865680?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.