2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid
TL;DR: 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid (CAS 312757-90-7) is a chemical compound with molecular formula C21H16N2O3S and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetic acid
Also Known As: O-acyl oxime isatin derivative, 51, BAS 01279502, 2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]acetic acid, 2-[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetic acid, AE-848/34435012
| Molecular Formula | C21H16N2O3S |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 4.47258 |
| Topological Polar Surface Area | 83.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.08817 |
| Heavy Atoms | 27 |
| Complexity | 1013.6805 |
Chemical Identifiers
| CAS Number | 312757-90-7 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CC=C3 |
Product Overview
2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid (CAS 312757-90-7), with molecular formula C21H16N2O3S and molecular weight 376.09 g/mol. IUPAC: 2-[[3-cyano-4-(2-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetic acid.
Chemical Property Profile of 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid
Property Insights of 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid
The XLogP value of 4.47258 indicates that 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid. Following Lipinski's Rule of Five, 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid 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 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid?
The CAS number of 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid is 312757-90-7.
What is the molecular formula of 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid?
The molecular formula of 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid is C21H16N2O3S.
What is the molecular weight of 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid?
The molecular weight of 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid is 376.09 g/mol.
Where can I buy 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid?
You can request a quote for 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Cyano-4-(2-methoxyphenyl)-6-phenyl-pyridin-2-yl)sulfanylethanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.