BAS 00635274
TL;DR: BAS 00635274 (CAS 331852-46-1) is a chemical compound with molecular formula C21H18N4O3S and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: BAS 00635274, [5-cyano-2-methyl-6-methylthio-4-(3-nitrophenyl)(3-1,4-dihydropyridyl)]-N-benz amide, 5-cyano-2-methyl-6-(methylsulfanyl)-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide, 5-cyano-2-methyl-6-(methylthio)-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide, 5-cyano-2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C21H18N4O3S |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 4.29248 |
| Topological Polar Surface Area | 108.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.10995 |
| Heavy Atoms | 29 |
| Complexity | 1070.8339 |
Chemical Identifiers
| CAS Number | 331852-46-1 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SC)C#N)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3 |
Product Overview
BAS 00635274 (CAS 331852-46-1), with molecular formula C21H18N4O3S and molecular weight 406.11 g/mol. IUPAC: 5-cyano-2-methyl-6-methylsulfanyl-4-(3-nitrophenyl)-N-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of BAS 00635274
Property Insights of BAS 00635274
The XLogP value of 4.29248 indicates that BAS 00635274 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00635274. Following Lipinski's Rule of Five, BAS 00635274 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00635274?
The CAS number of BAS 00635274 is 331852-46-1.
What is the molecular formula of BAS 00635274?
The molecular formula of BAS 00635274 is C21H18N4O3S.
What is the molecular weight of BAS 00635274?
The molecular weight of BAS 00635274 is 406.11 g/mol.
Where can I buy BAS 00635274?
You can request a quote for BAS 00635274 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00635274?
Yes, KEHONG BIO provides custom synthesis services for BAS 00635274 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.