BAS 00865830
TL;DR: BAS 00865830 (CAS 332050-57-4) is a chemical compound with molecular formula C24H22ClN3O2S and molecular weight 451.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00865830, 6-(allylthio)-4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide, 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-(prop-2-en-1-ylsulfanyl)-1,4-dihydropyridine-3-carboxamide, F0291-0118, 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C24H22ClN3O2S |
|---|---|
| Molecular Weight | 451.11 g/mol |
| LogP | 5.60248 |
| Topological Polar Surface Area | 74.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.11212 |
| Heavy Atoms | 31 |
| Complexity | 1117.8026 |
Chemical Identifiers
| CAS Number | 332050-57-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC=C)C#N)C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=C3OC |
Product Overview
BAS 00865830 (CAS 332050-57-4), with molecular formula C24H22ClN3O2S and molecular weight 451.11 g/mol. IUPAC: 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-prop-2-enylsulfanyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00865830
Property Insights of BAS 00865830
The XLogP value of 5.60248 indicates that BAS 00865830 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865830. Following Lipinski's Rule of Five, BAS 00865830 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00865830?
The CAS number of BAS 00865830 is 332050-57-4.
What is the molecular formula of BAS 00865830?
The molecular formula of BAS 00865830 is C24H22ClN3O2S.
What is the molecular weight of BAS 00865830?
The molecular weight of BAS 00865830 is 451.11 g/mol.
Where can I buy BAS 00865830?
You can request a quote for BAS 00865830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865830?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.