Bifenox acid
TL;DR: Bifenox acid (CAS 53774-07-5) is a chemical compound with molecular formula C13H7Cl2NO5 and molecular weight 326.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Bifenox acid
5-(2,4-dichlorophenoxy)-2-nitrobenzoic acid
Also Known As: Bifenox acid, bifenox TP, BIFENOX (FREE ACID), Bifenox metabolite, Bifenox free acid
| Molecular Formula | C13H7Cl2NO5 |
|---|---|
| Molecular Weight | 326.97 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.97012 |
| Heavy Atoms | 21 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 53774-07-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1OC2=C(C=C(C=C2)Cl)Cl)C(=O)O)[N+](=O)[O-] |
| InChIKey | IUSYSZLVZMUVDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bifenox acid (CAS 53774-07-5), with molecular formula C13H7Cl2NO5 and molecular weight 326.97 g/mol. IUPAC: 5-(2,4-dichlorophenoxy)-2-nitrobenzoic acid.
Chemical Property Profile of Bifenox acid
Property Insights of Bifenox acid
The XLogP value of 4.2 indicates that Bifenox acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bifenox acid. Following Lipinski's Rule of Five, Bifenox acid has 1 hydrogen bond donor(s) and 5 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 Bifenox acid?
The CAS number of Bifenox acid is 53774-07-5.
What is the molecular formula of Bifenox acid?
The molecular formula of Bifenox acid is C13H7Cl2NO5.
What is the molecular weight of Bifenox acid?
The molecular weight of Bifenox acid is 326.97 g/mol.
Where can I buy Bifenox acid?
You can request a quote for Bifenox acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bifenox acid?
Yes, KEHONG BIO provides custom synthesis services for Bifenox acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.