ChemDiv1_009430
TL;DR: ChemDiv1_009430 (CAS 370849-33-5) is a chemical compound with molecular formula C25H22ClN3O4S and molecular weight 495.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_009430, methyl 6-((2-((4-acetylphenyl)amino)-2-oxoethyl)thio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate, F1155-0044, METHYL 6-({[(4-ACETYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-4-(2-CHLOROPHENYL)-5-CYANO-2-METHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE, methyl 6-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C25H22ClN3O4S |
|---|---|
| Molecular Weight | 495.10 g/mol |
| LogP | 4.78348 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.10196 |
| Heavy Atoms | 34 |
| Complexity | 1245.5522 |
Chemical Identifiers
| CAS Number | 370849-33-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)C(=O)C)C#N)C3=CC=CC=C3Cl)C(=O)OC |
Product Overview
ChemDiv1_009430 (CAS 370849-33-5), with molecular formula C25H22ClN3O4S and molecular weight 495.10 g/mol. IUPAC: methyl 6-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_009430
Property Insights of ChemDiv1_009430
The XLogP value of 4.78348 indicates that ChemDiv1_009430 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009430. Following Lipinski's Rule of Five, ChemDiv1_009430 has 2 hydrogen bond donor(s) and 7 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 ChemDiv1_009430?
The CAS number of ChemDiv1_009430 is 370849-33-5.
What is the molecular formula of ChemDiv1_009430?
The molecular formula of ChemDiv1_009430 is C25H22ClN3O4S.
What is the molecular weight of ChemDiv1_009430?
The molecular weight of ChemDiv1_009430 is 495.10 g/mol.
Where can I buy ChemDiv1_009430?
You can request a quote for ChemDiv1_009430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009430?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.