2-(alpha-Carboxybenzylamino)benzoic acid
TL;DR: 2-(alpha-Carboxybenzylamino)benzoic acid (CAS 92553-92-9) is a chemical compound with molecular formula C15H13NO4 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[carboxy(phenyl)methyl]amino]benzoic acid
Also Known As: Maybridge3_004890, 2-(alpha-Carboxybenzylamino)benzoic acid, 2-[[carboxy(phenyl)methyl]amino]benzoic acid, IDI1_016277, 2-{[carboxy(phenyl)methyl]amino}benzoic acid
| Molecular Formula | C15H13NO4 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.08447 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 92553-92-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)NC2=CC=CC=C2C(=O)O |
| InChIKey | JQTHUVDYBPXSFO-UHFFFAOYSA-N |
Product Overview
2-(alpha-Carboxybenzylamino)benzoic acid (CAS 92553-92-9), with molecular formula C15H13NO4 and molecular weight 271.08 g/mol. IUPAC: 2-[[carboxy(phenyl)methyl]amino]benzoic acid.
Chemical Property Profile of 2-(alpha-Carboxybenzylamino)benzoic acid
Property Insights of 2-(alpha-Carboxybenzylamino)benzoic acid
The XLogP value of 3.3 indicates that 2-(alpha-Carboxybenzylamino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(alpha-Carboxybenzylamino)benzoic acid. Following Lipinski's Rule of Five, 2-(alpha-Carboxybenzylamino)benzoic acid has 3 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 2-(alpha-Carboxybenzylamino)benzoic acid?
The CAS number of 2-(alpha-Carboxybenzylamino)benzoic acid is 92553-92-9.
What is the molecular formula of 2-(alpha-Carboxybenzylamino)benzoic acid?
The molecular formula of 2-(alpha-Carboxybenzylamino)benzoic acid is C15H13NO4.
What is the molecular weight of 2-(alpha-Carboxybenzylamino)benzoic acid?
The molecular weight of 2-(alpha-Carboxybenzylamino)benzoic acid is 271.08 g/mol.
Where can I buy 2-(alpha-Carboxybenzylamino)benzoic acid?
You can request a quote for 2-(alpha-Carboxybenzylamino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(alpha-Carboxybenzylamino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(alpha-Carboxybenzylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.