![[4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid structure](/static/products/946/94640-07-0.png)
[4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid
TL;DR: [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid (CAS 94640-07-0) is a chemical compound with molecular formula C20H13ClN2O2S and molecular weight 380.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetic acid
Also Known As: BAS 01248549, [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid, 2-((4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl)thio)acetic acid, 2-[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridylthio]acetic acid, {[4-(4-chlorophenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl}acetic acid
| Molecular Formula | C20H13ClN2O2S |
|---|---|
| Molecular Weight | 380.04 g/mol |
| LogP | 5.11738 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.03864 |
| Heavy Atoms | 26 |
| Complexity | 983.1882 |
Chemical Identifiers
| CAS Number | 94640-07-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)O |
Product Overview
[4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid (CAS 94640-07-0), with molecular formula C20H13ClN2O2S and molecular weight 380.04 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-3-cyano-6-phenyl-2-pyridinyl]sulfanyl]acetic acid.
Chemical Property Profile of [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid
Property Insights of [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid
The XLogP value of 5.11738 indicates that [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic 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 [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid. Following Lipinski's Rule of Five, [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid?
The CAS number of [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid is 94640-07-0.
What is the molecular formula of [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid?
The molecular formula of [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid is C20H13ClN2O2S.
What is the molecular weight of [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid?
The molecular weight of [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid is 380.04 g/mol.
Where can I buy [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid?
You can request a quote for [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [4-(4-Chloro-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.