5-Amino-2-anilinobenzoic acid
TL;DR: 5-Amino-2-anilinobenzoic acid (CAS 39053-07-1) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-anilinobenzoic acid
Also Known As: 5-Amino-2-anilinobenzoic acid, 5-Amino-2-(phenylamino)benzoic acid, 5-Amino-2-anilinobenzoic acid #, 2,5-Diaminobenzoic acid, N(2)-phenyl-, RefChem:300949
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 39053-07-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)C(=O)O |
| InChIKey | YKWIACXPBYJNGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-2-anilinobenzoic acid (CAS 39053-07-1), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 5-amino-2-anilinobenzoic acid.
Chemical Property Profile of 5-Amino-2-anilinobenzoic acid
Property Insights of 5-Amino-2-anilinobenzoic acid
The XLogP value of 3.7 indicates that 5-Amino-2-anilinobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2-anilinobenzoic acid. Following Lipinski's Rule of Five, 5-Amino-2-anilinobenzoic acid has 3 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 5-Amino-2-anilinobenzoic acid?
The CAS number of 5-Amino-2-anilinobenzoic acid is 39053-07-1.
What is the molecular formula of 5-Amino-2-anilinobenzoic acid?
The molecular formula of 5-Amino-2-anilinobenzoic acid is C13H12N2O2.
What is the molecular weight of 5-Amino-2-anilinobenzoic acid?
The molecular weight of 5-Amino-2-anilinobenzoic acid is 228.09 g/mol.
Where can I buy 5-Amino-2-anilinobenzoic acid?
You can request a quote for 5-Amino-2-anilinobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2-anilinobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-anilinobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.