Bromfenac
TL;DR: Bromfenac (CAS 91714-94-2) is a chemical compound with molecular formula C15H12BrNO3 and molecular weight 333.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid
Also Known As: Bromfenac, Xibrom, Bromfenaco, Bromfenacum, Duract
| Molecular Formula | C15H12BrNO3 |
|---|---|
| Molecular Weight | 333.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.00006 |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
| Solubility | 1.26e-02 g/L |
Chemical Identifiers
| CAS Number | 91714-94-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)N)CC(=O)O |
| InChIKey | ZBPLOVFIXSTCRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bromfenac (CAS 91714-94-2), with molecular formula C15H12BrNO3 and molecular weight 333.00 g/mol. IUPAC: 2-[2-amino-3-(4-bromobenzoyl)phenyl]acetic acid.
Chemical Property Profile of Bromfenac
Property Insights of Bromfenac
The XLogP value of 3.3 indicates that Bromfenac is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bromfenac. Following Lipinski's Rule of Five, Bromfenac has 2 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 Bromfenac?
The CAS number of Bromfenac is 91714-94-2.
What is the molecular formula of Bromfenac?
The molecular formula of Bromfenac is C15H12BrNO3.
What is the molecular weight of Bromfenac?
The molecular weight of Bromfenac is 333.00 g/mol.
Where can I buy Bromfenac?
You can request a quote for Bromfenac directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromfenac?
Yes, KEHONG BIO provides custom synthesis services for Bromfenac and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.