Bromoxanide
TL;DR: Bromoxanide (CAS 53629-18-8) is a chemical compound with molecular formula C19H18BrF3N2O4 and molecular weight 474.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-tert-butyl-2-hydroxy-6-methyl-5-nitrobenzamide
Also Known As: Bromoxanide, Bromoxanida, Bromoxanidum, sk&f 61636, Bromoxanide [USAN:INN]
| Molecular Formula | C19H18BrF3N2O4 |
|---|---|
| Molecular Weight | 474.04 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.0402 |
| Heavy Atoms | 29 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 53629-18-8 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1C(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F)O)C(C)(C)C)[N+](=O)[O-] |
| InChIKey | WRPRKPMHLLGGIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromoxanide (CAS 53629-18-8), with molecular formula C19H18BrF3N2O4 and molecular weight 474.04 g/mol. IUPAC: N-[4-bromo-2-(trifluoromethyl)phenyl]-3-tert-butyl-2-hydroxy-6-methyl-5-nitrobenzamide.
Chemical Property Profile of Bromoxanide
Property Insights of Bromoxanide
The XLogP value of 6.4 indicates that Bromoxanide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromoxanide. Following Lipinski's Rule of Five, Bromoxanide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bromoxanide?
The CAS number of Bromoxanide is 53629-18-8.
What is the molecular formula of Bromoxanide?
The molecular formula of Bromoxanide is C19H18BrF3N2O4.
What is the molecular weight of Bromoxanide?
The molecular weight of Bromoxanide is 474.04 g/mol.
Where can I buy Bromoxanide?
You can request a quote for Bromoxanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromoxanide?
Yes, KEHONG BIO provides custom synthesis services for Bromoxanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.