Flurazole
TL;DR: Flurazole (CAS 72850-64-7) is a chemical compound with molecular formula C12H7ClF3NO2S and molecular weight 320.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
Also Known As: Flurazole, Screen, Flurazole [ISO], Benzyl 2-chloro-4-(trifluoromethyl)thiazole-5-carboxylate, 2-CHLORO-4-(TRIFLUOROMETHYL)-5-THIAZOLECARBOXYLIC ACID PHENYLMETHYL ESTER
| Molecular Formula | C12H7ClF3NO2S |
|---|---|
| Molecular Weight | 320.98 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.98383 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 72850-64-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=C(N=C(S2)Cl)C(F)(F)F |
| InChIKey | MKQSWTQPLLCSOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Flurazole (CAS 72850-64-7), with molecular formula C12H7ClF3NO2S and molecular weight 320.98 g/mol. IUPAC: benzyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Flurazole
Property Insights of Flurazole
The XLogP value of 4.5 indicates that Flurazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Flurazole. Following Lipinski's Rule of Five, Flurazole has 0 hydrogen bond donor(s) and 7 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 Flurazole?
The CAS number of Flurazole is 72850-64-7.
What is the molecular formula of Flurazole?
The molecular formula of Flurazole is C12H7ClF3NO2S.
What is the molecular weight of Flurazole?
The molecular weight of Flurazole is 320.98 g/mol.
Where can I buy Flurazole?
You can request a quote for Flurazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flurazole?
Yes, KEHONG BIO provides custom synthesis services for Flurazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.