BAS 00635029
TL;DR: BAS 00635029 (CAS 185409-80-7) is a chemical compound with molecular formula C22H17ClN4OS and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-5-cyano-6-(cyanomethylsulfanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00635029, A2076/0087258, 4-(2-chlorophenyl)-5-cyano-6-(cyanomethylsulfanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide, 4-(2-chlorophenyl)-5-cyano-6-[(cyanomethyl)sulfanyl]-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide, 4-(2-chlorophenyl)-5-cyano-6-((cyanomethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C22H17ClN4OS |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | 4.93146 |
| Topological Polar Surface Area | 88.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.08115 |
| Heavy Atoms | 29 |
| Complexity | 1079.9813 |
Chemical Identifiers
| CAS Number | 185409-80-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC#N)C#N)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3 |
Product Overview
BAS 00635029 (CAS 185409-80-7), with molecular formula C22H17ClN4OS and molecular weight 420.08 g/mol. IUPAC: 4-(2-chlorophenyl)-5-cyano-6-(cyanomethylsulfanyl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00635029
Property Insights of BAS 00635029
The XLogP value of 4.93146 indicates that BAS 00635029 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00635029. Following Lipinski's Rule of Five, BAS 00635029 has 2 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 BAS 00635029?
The CAS number of BAS 00635029 is 185409-80-7.
What is the molecular formula of BAS 00635029?
The molecular formula of BAS 00635029 is C22H17ClN4OS.
What is the molecular weight of BAS 00635029?
The molecular weight of BAS 00635029 is 420.08 g/mol.
Where can I buy BAS 00635029?
You can request a quote for BAS 00635029 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00635029?
Yes, KEHONG BIO provides custom synthesis services for BAS 00635029 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.