N-(2-Methylbenzoyl)-beta-alanine
TL;DR: N-(2-Methylbenzoyl)-beta-alanine (CAS 446828-80-4) 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-[(2-methylbenzoyl)amino]propanoic acid
Also Known As: 3-[(2-methylphenyl)formamido]propanoic acid, 3-[(2-methylbenzoyl)amino]propanoic Acid, N-(2-Methylbenzoyl)-beta-alanine, N-(2-Methylbenzoyl)-I(2)-alanine, 3-[(2-methylphenyl)formamido]propanoicacid
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.19952 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 373.8507 |
Chemical Identifiers
| CAS Number | 446828-80-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NCCC(=O)O |
Product Overview
N-(2-Methylbenzoyl)-beta-alanine (CAS 446828-80-4), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: 3-[(2-methylbenzoyl)amino]propanoic acid.
Chemical Property Profile of N-(2-Methylbenzoyl)-beta-alanine
Property Insights of N-(2-Methylbenzoyl)-beta-alanine
The XLogP value of 1.19952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Methylbenzoyl)-beta-alanine. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Methylbenzoyl)-beta-alanine. Following Lipinski's Rule of Five, N-(2-Methylbenzoyl)-beta-alanine has 2 hydrogen bond donor(s) and 2 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-(2-Methylbenzoyl)-beta-alanine?
The CAS number of N-(2-Methylbenzoyl)-beta-alanine is 446828-80-4.
What is the molecular formula of N-(2-Methylbenzoyl)-beta-alanine?
The molecular formula of N-(2-Methylbenzoyl)-beta-alanine is C11H13NO3.
What is the molecular weight of N-(2-Methylbenzoyl)-beta-alanine?
The molecular weight of N-(2-Methylbenzoyl)-beta-alanine is 207.09 g/mol.
Where can I buy N-(2-Methylbenzoyl)-beta-alanine?
You can request a quote for N-(2-Methylbenzoyl)-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-(2-Methylbenzoyl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Methylbenzoyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.