2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid
TL;DR: 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid (CAS 310456-47-4) is a chemical compound with molecular formula C14H10N2O2S and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]acetic acid
Also Known As: Verinurad Impurity3, IFLab1_000755, 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid, 2-(3-cyano-6-phenyl-2-pyridylthio)acetic acid, 2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetic acid
| Molecular Formula | C14H10N2O2S |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 2.79698 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.0463 |
| Heavy Atoms | 19 |
| Complexity | 635.6394 |
Chemical Identifiers
| CAS Number | 310456-47-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)O |
Product Overview
2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid (CAS 310456-47-4), with molecular formula C14H10N2O2S and molecular weight 270.05 g/mol. IUPAC: 2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid
Property Insights of 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid
The XLogP value of 2.79698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic 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-phenylpyridin-2-yl)thio)acetic acid?
The CAS number of 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid is 310456-47-4.
What is the molecular formula of 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid?
The molecular formula of 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid is C14H10N2O2S.
What is the molecular weight of 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid?
The molecular weight of 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid is 270.05 g/mol.
Where can I buy 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid?
You can request a quote for 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic 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-phenylpyridin-2-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Cyano-6-phenylpyridin-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.