N-(4-acetylphenyl)-beta-alanine
TL;DR: N-(4-acetylphenyl)-beta-alanine (CAS 31399-31-2) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-acetylanilino)propanoic acid
Also Known As: N-(4-acetylphenyl)-beta-alanine, 3-(4-Acetylanilino)propanoic acid, beta-Alanine, N-(4-acetylphenyl)-, 3-(4-Acetylanilino)propanoic acid #, 4-Acetylanilino-.beta.-propionic acid
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 31399-31-2 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NCCC(=O)O |
| InChIKey | ZTVSBVMDFDQBHI-UHFFFAOYSA-N |
Product Overview
N-(4-acetylphenyl)-beta-alanine (CAS 31399-31-2), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 3-(4-acetylanilino)propanoic acid.
Chemical Property Profile of N-(4-acetylphenyl)-beta-alanine
Property Insights of N-(4-acetylphenyl)-beta-alanine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-acetylphenyl)-beta-alanine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-acetylphenyl)-beta-alanine. Following Lipinski's Rule of Five, N-(4-acetylphenyl)-beta-alanine has 2 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-acetylphenyl)-beta-alanine?
The CAS number of N-(4-acetylphenyl)-beta-alanine is 31399-31-2.
What is the molecular formula of N-(4-acetylphenyl)-beta-alanine?
The molecular formula of N-(4-acetylphenyl)-beta-alanine is C11H13NO3.
What is the molecular weight of N-(4-acetylphenyl)-beta-alanine?
The molecular weight of N-(4-acetylphenyl)-beta-alanine is 207.09 g/mol.
Where can I buy N-(4-acetylphenyl)-beta-alanine?
You can request a quote for N-(4-acetylphenyl)-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-acetylphenyl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-acetylphenyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.