ChemDiv1_009478
TL;DR: ChemDiv1_009478 (CAS 384358-14-9) is a chemical compound with molecular formula C29H23ClN2O3S and molecular weight 514.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ChemDiv1_009478, benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate, benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-1,4-dihydropyridine-3-carboxylate, benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C29H23ClN2O3S |
|---|---|
| Molecular Weight | 514.11 g/mol |
| LogP | 6.39548 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.1118 |
| Heavy Atoms | 36 |
| Complexity | 1361.1381 |
Chemical Identifiers
| CAS Number | 384358-14-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4 |
Product Overview
ChemDiv1_009478 (CAS 384358-14-9), with molecular formula C29H23ClN2O3S and molecular weight 514.11 g/mol. IUPAC: benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_009478
Property Insights of ChemDiv1_009478
The XLogP value of 6.39548 indicates that ChemDiv1_009478 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009478. Following Lipinski's Rule of Five, ChemDiv1_009478 has 1 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 ChemDiv1_009478?
The CAS number of ChemDiv1_009478 is 384358-14-9.
What is the molecular formula of ChemDiv1_009478?
The molecular formula of ChemDiv1_009478 is C29H23ClN2O3S.
What is the molecular weight of ChemDiv1_009478?
The molecular weight of ChemDiv1_009478 is 514.11 g/mol.
Where can I buy ChemDiv1_009478?
You can request a quote for ChemDiv1_009478 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009478?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009478 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.