2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile
TL;DR: 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile (CAS 77768-58-2) is a chemical compound with molecular formula C18H11ClN2OS and molecular weight 338.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-3-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Also Known As: 2-Chloro-.beta.-oxo-.alpha.-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile, 3-(2-chlorophenyl)-3-oxo-2-(4-phenyl-2,3-dihydrothiazole-2-ylidene)-propionitrile
| Molecular Formula | C18H11ClN2OS |
|---|---|
| Molecular Weight | 338.03 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.02808 |
| Heavy Atoms | 23 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 77768-58-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC(=N2)C(=C(C3=CC=CC=C3Cl)O)C#N |
| InChIKey | OPSVQVIVTQDYBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile (CAS 77768-58-2), with molecular formula C18H11ClN2OS and molecular weight 338.03 g/mol. IUPAC: 3-(2-chlorophenyl)-3-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile
Property Insights of 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile
The XLogP value of 4.5 indicates that 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile. Following Lipinski's Rule of Five, 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile has 1 hydrogen bond donor(s) and 4 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-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile?
The CAS number of 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile is 77768-58-2.
What is the molecular formula of 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile?
The molecular formula of 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile is C18H11ClN2OS.
What is the molecular weight of 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile?
The molecular weight of 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile is 338.03 g/mol.
Where can I buy 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile?
You can request a quote for 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-beta-oxo-alpha-(4-phenyl-2(3H)-thiazolylidene)benzenepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.