BAS 00865921
TL;DR: BAS 00865921 (CAS 330557-98-7) is a chemical compound with molecular formula C30H26ClN3O3S and molecular weight 543.14 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-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00865921, 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide, 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-((2-oxo-2-(p-tolyl)ethyl)thio)-1,4-dihydropyridine-3-carboxamide, F0837-0211, 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C30H26ClN3O3S |
|---|---|
| Molecular Weight | 543.14 g/mol |
| LogP | 6.6078 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 543.13837 |
| Heavy Atoms | 38 |
| Complexity | 1489.0779 |
Chemical Identifiers
| CAS Number | 330557-98-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3OC)C4=CC=CC=C4Cl)C#N |
Product Overview
BAS 00865921 (CAS 330557-98-7), with molecular formula C30H26ClN3O3S and molecular weight 543.14 g/mol. IUPAC: 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00865921
Property Insights of BAS 00865921
The XLogP value of 6.6078 indicates that BAS 00865921 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865921. Following Lipinski's Rule of Five, BAS 00865921 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00865921?
The CAS number of BAS 00865921 is 330557-98-7.
What is the molecular formula of BAS 00865921?
The molecular formula of BAS 00865921 is C30H26ClN3O3S.
What is the molecular weight of BAS 00865921?
The molecular weight of BAS 00865921 is 543.14 g/mol.
Where can I buy BAS 00865921?
You can request a quote for BAS 00865921 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865921?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.