ChemDiv1_004701
TL;DR: ChemDiv1_004701 (CAS 361478-32-2) is a chemical compound with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-benzylsulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: ChemDiv1_004701, methyl 6-(benzylsulfanyl)-5-cyano-4-(4-ethoxyphenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate, methyl 6-(benzylsulfanyl)-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-(benzylthio)-5-cyano-4-(4-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-benzylsulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C23H22N2O4S |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 3.75648 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.13004 |
| Heavy Atoms | 30 |
| Complexity | 980.51276 |
Chemical Identifiers
| CAS Number | 361478-32-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C(=O)OC |
Product Overview
ChemDiv1_004701 (CAS 361478-32-2), with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol. IUPAC: methyl 6-benzylsulfanyl-5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of ChemDiv1_004701
Property Insights of ChemDiv1_004701
The XLogP value of 3.75648 indicates that ChemDiv1_004701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004701. Following Lipinski's Rule of Five, ChemDiv1_004701 has 1 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 ChemDiv1_004701?
The CAS number of ChemDiv1_004701 is 361478-32-2.
What is the molecular formula of ChemDiv1_004701?
The molecular formula of ChemDiv1_004701 is C23H22N2O4S.
What is the molecular weight of ChemDiv1_004701?
The molecular weight of ChemDiv1_004701 is 422.13 g/mol.
Where can I buy ChemDiv1_004701?
You can request a quote for ChemDiv1_004701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004701?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.