BAS 01235466
TL;DR: BAS 01235466 (CAS 330557-91-0) is a chemical compound with molecular formula C29H24FN3O3S and molecular weight 513.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 01235466, 5-cyano-6-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide, {5-cyano-6-[2-(4-fluorophenyl)-2-oxoethylthio]-2-methyl-4-phenyl(3-1,4-dihydro pyridyl)}-N-(2-methoxyphenyl)carboxamide, 5-cyano-6-((2-(4-fluorophenyl)-2-oxoethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide, 5-cyano-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C29H24FN3O3S |
|---|---|
| Molecular Weight | 513.15 g/mol |
| LogP | 5.78508 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.1522 |
| Heavy Atoms | 37 |
| Complexity | 1426.7559 |
Chemical Identifiers
| CAS Number | 330557-91-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)F)C#N)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC |
Product Overview
BAS 01235466 (CAS 330557-91-0), with molecular formula C29H24FN3O3S and molecular weight 513.15 g/mol. IUPAC: 5-cyano-6-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 01235466
Property Insights of BAS 01235466
The XLogP value of 5.78508 indicates that BAS 01235466 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 01235466. Following Lipinski's Rule of Five, BAS 01235466 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 01235466?
The CAS number of BAS 01235466 is 330557-91-0.
What is the molecular formula of BAS 01235466?
The molecular formula of BAS 01235466 is C29H24FN3O3S.
What is the molecular weight of BAS 01235466?
The molecular weight of BAS 01235466 is 513.15 g/mol.
Where can I buy BAS 01235466?
You can request a quote for BAS 01235466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01235466?
Yes, KEHONG BIO provides custom synthesis services for BAS 01235466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.