BAS 00635050
TL;DR: BAS 00635050 (CAS 185409-96-5) is a chemical compound with molecular formula C29H24ClN3O2S and molecular weight 513.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-5-cyano-2-methyl-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00635050, AE-848/33207006, 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide, 4-(2-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-N-phenyl-1,4-dihydropyridine-3-carboxamide, {4-(2-chlorophenyl)-5-cyano-2-methyl-6-[2-(4-methylphenyl)-2-oxoethylthio](3-1 ,4-dihydropyridyl)}-N-benzamide
| Molecular Formula | C29H24ClN3O2S |
|---|---|
| Molecular Weight | 513.13 g/mol |
| LogP | 6.5992 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.12775 |
| Heavy Atoms | 36 |
| Complexity | 1406.4368 |
Chemical Identifiers
| CAS Number | 185409-96-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=C(C(C(=C(N2)C)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4Cl)C#N |
Product Overview
BAS 00635050 (CAS 185409-96-5), with molecular formula C29H24ClN3O2S and molecular weight 513.13 g/mol. IUPAC: 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00635050
Property Insights of BAS 00635050
The XLogP value of 6.5992 indicates that BAS 00635050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00635050. Following Lipinski's Rule of Five, BAS 00635050 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 00635050?
The CAS number of BAS 00635050 is 185409-96-5.
What is the molecular formula of BAS 00635050?
The molecular formula of BAS 00635050 is C29H24ClN3O2S.
What is the molecular weight of BAS 00635050?
The molecular weight of BAS 00635050 is 513.13 g/mol.
Where can I buy BAS 00635050?
You can request a quote for BAS 00635050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00635050?
Yes, KEHONG BIO provides custom synthesis services for BAS 00635050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.