3-Amino-4-phenylamino-benzoic acid
TL;DR: 3-Amino-4-phenylamino-benzoic acid (CAS 55296-17-8) 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.
3-amino-4-anilinobenzoic acid
Also Known As: 3-amino-4-(phenylamino)benzoic acid, 3-amino-4-anilinobenzoic acid, ACTODIGIN, 3-Amino-4-phenylamino-benzoic acid, 3-amino-4-anilino-benzoic acid
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.3 |
| 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 | 55296-17-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)N |
| InChIKey | SOSRJZNYVRVFOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-4-phenylamino-benzoic acid (CAS 55296-17-8), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 3-amino-4-anilinobenzoic acid.
Chemical Property Profile of 3-Amino-4-phenylamino-benzoic acid
Property Insights of 3-Amino-4-phenylamino-benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-phenylamino-benzoic acid. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-phenylamino-benzoic acid. Following Lipinski's Rule of Five, 3-Amino-4-phenylamino-benzoic 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 3-Amino-4-phenylamino-benzoic acid?
The CAS number of 3-Amino-4-phenylamino-benzoic acid is 55296-17-8.
What is the molecular formula of 3-Amino-4-phenylamino-benzoic acid?
The molecular formula of 3-Amino-4-phenylamino-benzoic acid is C13H12N2O2.
What is the molecular weight of 3-Amino-4-phenylamino-benzoic acid?
The molecular weight of 3-Amino-4-phenylamino-benzoic acid is 228.09 g/mol.
Where can I buy 3-Amino-4-phenylamino-benzoic acid?
You can request a quote for 3-Amino-4-phenylamino-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-phenylamino-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-phenylamino-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.