ChemDiv1_005914
TL;DR: ChemDiv1_005914 (CAS 332046-10-3) 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.
ethyl 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: ChemDiv1_005914, BAS 00865712, F0192-0171, ethyl 2-({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate, A2369/0100152
| 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 | 332046-10-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N |
Product Overview
ChemDiv1_005914 (CAS 332046-10-3), with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol. IUPAC: ethyl 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_005914
Property Insights of ChemDiv1_005914
The XLogP value of 3.90058 indicates that ChemDiv1_005914 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_005914. Following Lipinski's Rule of Five, ChemDiv1_005914 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_005914?
The CAS number of ChemDiv1_005914 is 332046-10-3.
What is the molecular formula of ChemDiv1_005914?
The molecular formula of ChemDiv1_005914 is C23H22N2O4S.
What is the molecular weight of ChemDiv1_005914?
The molecular weight of ChemDiv1_005914 is 422.13 g/mol.
Where can I buy ChemDiv1_005914?
You can request a quote for ChemDiv1_005914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005914?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.