ChemDiv1_028739
TL;DR: ChemDiv1_028739 (CAS 383893-65-0) is a chemical compound with molecular formula C22H18ClFN2O3S and molecular weight 444.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_028739, ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, ethyl 6-((4-chlorobenzyl)thio)-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ethyl 6-[(4-chlorobenzyl)sulfanyl]-5-cyano-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, ETHYL 6-{[(4-CHLOROPHENYL)METHYL]SULFANYL}-5-CYANO-4-(2-FLUOROPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE
| Molecular Formula | C22H18ClFN2O3S |
|---|---|
| Molecular Weight | 444.07 g/mol |
| LogP | 4.54038 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.07108 |
| Heavy Atoms | 30 |
| Complexity | 1033.4233 |
Chemical Identifiers
| CAS Number | 383893-65-0 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(NC1=O)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=CC=C3F |
Product Overview
ChemDiv1_028739 (CAS 383893-65-0), with molecular formula C22H18ClFN2O3S and molecular weight 444.07 g/mol. IUPAC: ethyl 6-[(4-chlorophenyl)methylsulfanyl]-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_028739
Property Insights of ChemDiv1_028739
The XLogP value of 4.54038 indicates that ChemDiv1_028739 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_028739. Following Lipinski's Rule of Five, ChemDiv1_028739 has 1 hydrogen bond donor(s) and 5 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_028739?
The CAS number of ChemDiv1_028739 is 383893-65-0.
What is the molecular formula of ChemDiv1_028739?
The molecular formula of ChemDiv1_028739 is C22H18ClFN2O3S.
What is the molecular weight of ChemDiv1_028739?
The molecular weight of ChemDiv1_028739 is 444.07 g/mol.
Where can I buy ChemDiv1_028739?
You can request a quote for ChemDiv1_028739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028739?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.