N-(4-Aminobenzoyl)-beta-alanine
TL;DR: N-(4-Aminobenzoyl)-beta-alanine (CAS 7435-02-1) is a chemical compound with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-aminobenzoyl)amino]propanoic acid
Also Known As: N-(4-Aminobenzoyl)-Beta-Alanine, N- -beta-alanine, 4-aminobenzoyl-beta-alanine, n-(4-aminobenzoyl)-b-alanine, Balsalazide Impurity 2
| Molecular Formula | C10H12N2O3 |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.0848 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 7435-02-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCCC(=O)O)N |
| InChIKey | VHAXWROFYVPXMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-Aminobenzoyl)-beta-alanine (CAS 7435-02-1), with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol. IUPAC: 3-[(4-aminobenzoyl)amino]propanoic acid.
Chemical Property Profile of N-(4-Aminobenzoyl)-beta-alanine
Property Insights of N-(4-Aminobenzoyl)-beta-alanine
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Aminobenzoyl)-beta-alanine. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Aminobenzoyl)-beta-alanine. Following Lipinski's Rule of Five, N-(4-Aminobenzoyl)-beta-alanine 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 N-(4-Aminobenzoyl)-beta-alanine?
The CAS number of N-(4-Aminobenzoyl)-beta-alanine is 7435-02-1.
What is the molecular formula of N-(4-Aminobenzoyl)-beta-alanine?
The molecular formula of N-(4-Aminobenzoyl)-beta-alanine is C10H12N2O3.
What is the molecular weight of N-(4-Aminobenzoyl)-beta-alanine?
The molecular weight of N-(4-Aminobenzoyl)-beta-alanine is 208.08 g/mol.
Where can I buy N-(4-Aminobenzoyl)-beta-alanine?
You can request a quote for N-(4-Aminobenzoyl)-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Aminobenzoyl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Aminobenzoyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.