2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid
TL;DR: 2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid (CAS 94361-03-2) is a chemical compound with molecular formula C20H14N2O2S and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid
Also Known As: CBKinase1_000206, CBKinase1_012606, 2-((3-cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid, 2-(3-cyano-4,6-diphenyl-2-pyridylthio)acetic acid, A0007/0000304
| Molecular Formula | C20H14N2O2S |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.0776 |
| Heavy Atoms | 25 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 94361-03-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CC=C3 |
| InChIKey | GUHKKPYASPMLOV-UHFFFAOYSA-N |
Product Overview
2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid (CAS 94361-03-2), with molecular formula C20H14N2O2S and molecular weight 346.08 g/mol. IUPAC: 2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]acetic acid.
Chemical Property Profile of 2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid
Property Insights of 2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid
The XLogP value of 4.3 indicates that 2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic 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-4,6-diphenylpyridin-2-yl)thio)acetic acid?
The CAS number of 2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid is 94361-03-2.
What is the molecular formula of 2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid?
The molecular formula of 2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid is C20H14N2O2S.
What is the molecular weight of 2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid?
The molecular weight of 2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid is 346.08 g/mol.
Where can I buy 2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid?
You can request a quote for 2-((3-Cyano-4,6-diphenylpyridin-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-4,6-diphenylpyridin-2-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Cyano-4,6-diphenylpyridin-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.