2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid
TL;DR: 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid (CAS 140382-95-2) 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-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetic acid
Also Known As: ChemDiv1_010835, 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid, BAS 00867705, tert-Butyl trans-4-(benzyloxy)cyclohexylcarbamate, 2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetic acid
| 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 | 996.4305 |
Chemical Identifiers
| CAS Number | 140382-95-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3=CC=CC=C3 |
Product Overview
2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid (CAS 140382-95-2), with molecular formula C21H16N2O3S and molecular weight 376.09 g/mol. IUPAC: 2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]acetic acid.
Chemical Property Profile of 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid
Property Insights of 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid
The XLogP value of 4.47258 indicates that 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic 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-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-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-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid?
The CAS number of 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid is 140382-95-2.
What is the molecular formula of 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid?
The molecular formula of 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid is C21H16N2O3S.
What is the molecular weight of 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid?
The molecular weight of 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid is 376.09 g/mol.
Where can I buy 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid?
You can request a quote for 2-((3-Cyano-4-(4-methoxyphenyl)-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-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.