Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate
TL;DR: Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate (CAS 332385-73-6) is a chemical compound with molecular formula C23H18Cl2N2O2S and molecular weight 456.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]acetate
Also Known As: BAS 01541879, Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate, Isopropyl2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate, [4,6-Bis-(4-chloro-phenyl)-3-cyano-pyridin-2-ylsulfanyl]-acetic acid isopropyl ester, propan-2-yl 2-[4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylacetate
| Molecular Formula | C23H18Cl2N2O2S |
|---|---|
| Molecular Weight | 456.05 g/mol |
| LogP | 6.63778 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.0466 |
| Heavy Atoms | 30 |
| Complexity | 1091.9263 |
Chemical Identifiers
| CAS Number | 332385-73-6 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=C(C(=CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N |
Product Overview
Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate (CAS 332385-73-6), with molecular formula C23H18Cl2N2O2S and molecular weight 456.05 g/mol. IUPAC: propan-2-yl 2-[[4,6-bis(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]acetate.
Chemical Property Profile of Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate
Property Insights of Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate
The XLogP value of 6.63778 indicates that Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-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-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-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-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate?
The CAS number of Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate is 332385-73-6.
What is the molecular formula of Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate?
The molecular formula of Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate is C23H18Cl2N2O2S.
What is the molecular weight of Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate?
The molecular weight of Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate is 456.05 g/mol.
Where can I buy Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate?
You can request a quote for Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-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-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-((4,6-bis(4-chlorophenyl)-3-cyanopyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.