Flurantel
TL;DR: Flurantel (CAS 35444-05-4) is a chemical compound with molecular formula C19H12F6N2O7 and molecular weight 494.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyloxy-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-nitrophenyl] acetate
Also Known As: Flurantel, Flurantel [INN], flurantelum, [3-acetyloxy-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-nitrophenyl] acetate, 2,6-bis(acetyloxy)-n-[3,5-bis(trifluoromethyl)phenyl]-3-nitrobenzamide
| Molecular Formula | C19H12F6N2O7 |
|---|---|
| Molecular Weight | 494.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.05487 |
| Heavy Atoms | 34 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 35444-05-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C(=C(C=C1)[N+](=O)[O-])OC(=O)C)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
| InChIKey | YRPPAQRAYJVJOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Flurantel (CAS 35444-05-4), with molecular formula C19H12F6N2O7 and molecular weight 494.05 g/mol. IUPAC: [3-acetyloxy-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-nitrophenyl] acetate.
Chemical Property Profile of Flurantel
Property Insights of Flurantel
The XLogP value of 3.9 indicates that Flurantel is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Flurantel. Following Lipinski's Rule of Five, Flurantel has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Flurantel?
The CAS number of Flurantel is 35444-05-4.
What is the molecular formula of Flurantel?
The molecular formula of Flurantel is C19H12F6N2O7.
What is the molecular weight of Flurantel?
The molecular weight of Flurantel is 494.05 g/mol.
Where can I buy Flurantel?
You can request a quote for Flurantel directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Flurantel?
Yes, KEHONG BIO provides custom synthesis services for Flurantel and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.