2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid
TL;DR: 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid (CAS 329903-73-3) is a chemical compound with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-2-phenylacetic acid
Also Known As: Verinurad Impurity8, IFLab1_000799, 2-((3-cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid, 2-[(3-cyano-6-methylpyridin-2-yl)sulfanyl]-2-phenylacetic acid, [(3-cyano-6-methylpyridin-2-yl)sulfanyl](phenyl)acetic acid
| Molecular Formula | C15H12N2O2S |
|---|---|
| Molecular Weight | 284.06 g/mol |
| LogP | 3.1797 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.06195 |
| Heavy Atoms | 20 |
| Complexity | 665.3189 |
Chemical Identifiers
| CAS Number | 329903-73-3 |
|---|---|
| SMILES | CC1=NC(=C(C=C1)C#N)SC(C2=CC=CC=C2)C(=O)O |
Product Overview
2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid (CAS 329903-73-3), with molecular formula C15H12N2O2S and molecular weight 284.06 g/mol. IUPAC: 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-2-phenylacetic acid.
Chemical Property Profile of 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid
Property Insights of 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid
The XLogP value of 3.1797 indicates that 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid. Following Lipinski's Rule of Five, 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid has 1 hydrogen bond donor(s) and 4 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-6-methylpyridin-2-yl)thio)-2-phenylacetic acid?
The CAS number of 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid is 329903-73-3.
What is the molecular formula of 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid?
The molecular formula of 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid is C15H12N2O2S.
What is the molecular weight of 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid?
The molecular weight of 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid is 284.06 g/mol.
Where can I buy 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid?
You can request a quote for 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic 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-6-methylpyridin-2-yl)thio)-2-phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Cyano-6-methylpyridin-2-yl)thio)-2-phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.