4-(2,4-Dinitrophenoxy)benzoic acid
TL;DR: 4-(2,4-Dinitrophenoxy)benzoic acid (CAS 3761-31-7) is a chemical compound with molecular formula C13H8N2O7 and molecular weight 304.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dinitrophenoxy)benzoic acid
Also Known As: 4-(2,4-dinitrophenoxy)benzoic acid, BAS 00604532, 4-(2,4-Dinitro-phenoxy)-benzoic acid, Benzoic acid, 4-(2,4-dinitrophenoxy)-, 2'.4'-Dinitro-diphenylaether-carbonsaeure-(4)
| Molecular Formula | C13H8N2O7 |
|---|---|
| Molecular Weight | 304.03 g/mol |
| LogP | 2.9935 |
| Topological Polar Surface Area | 132.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.03314 |
| Heavy Atoms | 22 |
| Complexity | 755.48395 |
Chemical Identifiers
| CAS Number | 3761-31-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-(2,4-Dinitrophenoxy)benzoic acid (CAS 3761-31-7), with molecular formula C13H8N2O7 and molecular weight 304.03 g/mol. IUPAC: 4-(2,4-dinitrophenoxy)benzoic acid.
Chemical Property Profile of 4-(2,4-Dinitrophenoxy)benzoic acid
Property Insights of 4-(2,4-Dinitrophenoxy)benzoic acid
The XLogP value of 2.9935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,4-Dinitrophenoxy)benzoic acid. The TPSA of 132.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,4-Dinitrophenoxy)benzoic acid. Following Lipinski's Rule of Five, 4-(2,4-Dinitrophenoxy)benzoic acid has 1 hydrogen bond donor(s) and 6 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 4-(2,4-Dinitrophenoxy)benzoic acid?
The CAS number of 4-(2,4-Dinitrophenoxy)benzoic acid is 3761-31-7.
What is the molecular formula of 4-(2,4-Dinitrophenoxy)benzoic acid?
The molecular formula of 4-(2,4-Dinitrophenoxy)benzoic acid is C13H8N2O7.
What is the molecular weight of 4-(2,4-Dinitrophenoxy)benzoic acid?
The molecular weight of 4-(2,4-Dinitrophenoxy)benzoic acid is 304.03 g/mol.
Where can I buy 4-(2,4-Dinitrophenoxy)benzoic acid?
You can request a quote for 4-(2,4-Dinitrophenoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-Dinitrophenoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Dinitrophenoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.