Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate
TL;DR: Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate (CAS 444153-80-4) is a chemical compound with molecular formula C24H21ClN2O2S and molecular weight 436.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]acetate
Also Known As: BAS 01816497, Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate, propan-2-yl 2-[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetate, [4-(4-Chloro-phenyl)-3-cyano-6-p-tolyl-pyridin-2-ylsulfanyl]-acetic acid isopropyl ester, isopropyl {[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl}acetate
| Molecular Formula | C24H21ClN2O2S |
|---|---|
| Molecular Weight | 436.10 g/mol |
| LogP | 6.2928 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.10123 |
| Heavy Atoms | 30 |
| Complexity | 1087.9291 |
Chemical Identifiers
| CAS Number | 444153-80-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)SCC(=O)OC(C)C |
Product Overview
Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate (CAS 444153-80-4), with molecular formula C24H21ClN2O2S and molecular weight 436.10 g/mol. IUPAC: propan-2-yl 2-[[4-(4-chlorophenyl)-3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate
Property Insights of Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate
The XLogP value of 6.2928 indicates that Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate?
The CAS number of Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate is 444153-80-4.
What is the molecular formula of Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate?
The molecular formula of Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate is C24H21ClN2O2S.
What is the molecular weight of Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate?
The molecular weight of Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate is 436.10 g/mol.
Where can I buy Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate?
You can request a quote for Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-((4-(4-chlorophenyl)-3-cyano-6-(p-tolyl)pyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.