4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid
TL;DR: 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid (CAS 709636-71-5) is a chemical compound with molecular formula C13H9N3O7 and molecular weight 319.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyanilino)-3,5-dinitrobenzoic acid
Also Known As: 4-(2-hydroxyanilino)-3,5-dinitrobenzoic acid, 4-[(2-hydroxyphenyl)amino]-3,5-dinitrobenzoic acid
| Molecular Formula | C13H9N3O7 |
|---|---|
| Molecular Weight | 319.04 g/mol |
| LogP | 2.6504 |
| Topological Polar Surface Area | 155.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.04404 |
| Heavy Atoms | 23 |
| Complexity | 783.9606 |
Chemical Identifiers
| CAS Number | 709636-71-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-])O |
Product Overview
4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid (CAS 709636-71-5), with molecular formula C13H9N3O7 and molecular weight 319.04 g/mol. IUPAC: 4-(2-hydroxyanilino)-3,5-dinitrobenzoic acid.
Chemical Property Profile of 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid
Property Insights of 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid
The XLogP value of 2.6504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid. The TPSA of 155.84 Ų indicates high polarity, suggesting 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid has 3 hydrogen bond donor(s) and 7 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-Hydroxyanilino)-3,5-dinitrobenzoic acid?
The CAS number of 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid is 709636-71-5.
What is the molecular formula of 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid?
The molecular formula of 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid is C13H9N3O7.
What is the molecular weight of 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid?
The molecular weight of 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid is 319.04 g/mol.
Where can I buy 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid?
You can request a quote for 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic 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-Hydroxyanilino)-3,5-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Hydroxyanilino)-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.