ChemDiv1_011292
TL;DR: ChemDiv1_011292 (CAS 312507-98-5) 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.
benzyl 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: ChemDiv1_011292, A1930/0081213, benzyl {[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}acetate, benzyl {[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, benzyl 2-((3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
| Molecular Formula | C23H22N2O4S |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 3.90058 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.13004 |
| Heavy Atoms | 30 |
| Complexity | 964.9477 |
Chemical Identifiers
| CAS Number | 312507-98-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3 |
Product Overview
ChemDiv1_011292 (CAS 312507-98-5), with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol. IUPAC: benzyl 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_011292
Property Insights of ChemDiv1_011292
The XLogP value of 3.90058 indicates that ChemDiv1_011292 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_011292. Following Lipinski's Rule of Five, ChemDiv1_011292 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_011292?
The CAS number of ChemDiv1_011292 is 312507-98-5.
What is the molecular formula of ChemDiv1_011292?
The molecular formula of ChemDiv1_011292 is C23H22N2O4S.
What is the molecular weight of ChemDiv1_011292?
The molecular weight of ChemDiv1_011292 is 422.13 g/mol.
Where can I buy ChemDiv1_011292?
You can request a quote for ChemDiv1_011292 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011292?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011292 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.