BAS 00865920
TL;DR: BAS 00865920 (CAS 5530-85-8) is a chemical compound with molecular formula C29H24ClN3O3S and molecular weight 529.12 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-phenacylsulfanyl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00865920, BIM-0022991.P001, 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxamide, F0837-0148, 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C29H24ClN3O3S |
|---|---|
| Molecular Weight | 529.12 g/mol |
| LogP | 6.29938 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.1227 |
| Heavy Atoms | 37 |
| Complexity | 1444.0059 |
Chemical Identifiers
| CAS Number | 5530-85-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4OC |
Product Overview
BAS 00865920 (CAS 5530-85-8), with molecular formula C29H24ClN3O3S and molecular weight 529.12 g/mol. IUPAC: 4-(2-chlorophenyl)-5-cyano-N-(2-methoxyphenyl)-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00865920
Property Insights of BAS 00865920
The XLogP value of 6.29938 indicates that BAS 00865920 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 00865920. Following Lipinski's Rule of Five, BAS 00865920 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 00865920?
The CAS number of BAS 00865920 is 5530-85-8.
What is the molecular formula of BAS 00865920?
The molecular formula of BAS 00865920 is C29H24ClN3O3S.
What is the molecular weight of BAS 00865920?
The molecular weight of BAS 00865920 is 529.12 g/mol.
Where can I buy BAS 00865920?
You can request a quote for BAS 00865920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865920?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.