Bifenox
TL;DR: Bifenox (CAS 42576-02-3) is a chemical compound with molecular formula C14H9Cl2NO5 and molecular weight 340.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Also Known As: BIFENOX, Modown, Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate, ?Bifenox, Caswell No. 561AA
| Molecular Formula | C14H9Cl2NO5 |
|---|---|
| Molecular Weight | 340.99 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.98578 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
| Melting Point | 85 °C |
| Density | 1.155 g/ml |
| Solubility | Solubility in xylene at 25 °C: 30% |
| Vapor Pressure | 0.0000001 [mmHg] |
Chemical Identifiers
| CAS Number | 42576-02-3 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] |
| InChIKey | SUSRORUBZHMPCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bifenox (CAS 42576-02-3), with molecular formula C14H9Cl2NO5 and molecular weight 340.99 g/mol. IUPAC: methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate.
Chemical Property Profile of Bifenox
Property Insights of Bifenox
The XLogP value of 4.5 indicates that Bifenox is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bifenox. Following Lipinski's Rule of Five, Bifenox has 0 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?
The CAS number of Bifenox is 42576-02-3.
What is the molecular formula of Bifenox?
The molecular formula of Bifenox is C14H9Cl2NO5.
What is the molecular weight of Bifenox?
The molecular weight of Bifenox is 340.99 g/mol.
Where can I buy Bifenox?
You can request a quote for Bifenox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bifenox?
Yes, KEHONG BIO provides custom synthesis services for Bifenox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.