Chlorflurazole
TL;DR: Chlorflurazole (CAS 3615-21-2) is a chemical compound with molecular formula C8H3Cl2F3N2 and molecular weight 253.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole
Also Known As: Chlorflurazole, Chloroflurazole, Chlorflurazole [ISO], CHLOROFLUORAZOLE, Caswell No. 327A
| Molecular Formula | C8H3Cl2F3N2 |
|---|---|
| Molecular Weight | 253.96 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.96254 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
| Melting Point | 415 to 213.9 °C |
| Density | 3.49 @25 °C |
| Solubility | 69 PPM IN WATER @ 25 °C; SPARINGLY SOL IN METHYL NAPHTHALENE & BENZENE; SOL UP TO 25% IN ETHANOL, ETHER, CHLOROFORM, PROPYLENE GLYCOL, GLYCEROL FORMAL, METHYL NAPHTHALENE; VERY SOL IN ACETONE. |
| Flash Point | (Non-Specific |
| Vapor Pressure | 4e-05 mmHg at 22.5 °C |
Chemical Identifiers
| CAS Number | 3615-21-2 |
|---|---|
| SMILES | C1=CC(=C(C2=C1NC(=N2)C(F)(F)F)Cl)Cl |
| InChIKey | KSROTSBULDYPKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorflurazole (CAS 3615-21-2), with molecular formula C8H3Cl2F3N2 and molecular weight 253.96 g/mol. IUPAC: 4,5-dichloro-2-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of Chlorflurazole
Property Insights of Chlorflurazole
The XLogP value of 3.6 indicates that Chlorflurazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.7 Ų, Chlorflurazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorflurazole 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 Chlorflurazole?
The CAS number of Chlorflurazole is 3615-21-2.
What is the molecular formula of Chlorflurazole?
The molecular formula of Chlorflurazole is C8H3Cl2F3N2.
What is the molecular weight of Chlorflurazole?
The molecular weight of Chlorflurazole is 253.96 g/mol.
Where can I buy Chlorflurazole?
You can request a quote for Chlorflurazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorflurazole?
Yes, KEHONG BIO provides custom synthesis services for Chlorflurazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.