N-Benzoyl-beta-alanine Methyl Ester
TL;DR: N-Benzoyl-beta-alanine Methyl Ester (CAS 89928-06-3) 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.
methyl 3-benzamidopropanoate
Also Known As: methyl 3-benzamidopropanoate, N-Benzoyl-beta-alanine Methyl Ester, methyl3-benzamidopropanoate, methyl 3-(phenylformamido)propanoate, methyl N-benzoyl-beta-alaninate
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 89928-06-3 |
|---|---|
| SMILES | COC(=O)CCNC(=O)C1=CC=CC=C1 |
| InChIKey | RZZNKCALONWEAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Benzoyl-beta-alanine Methyl Ester (CAS 89928-06-3), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: methyl 3-benzamidopropanoate.
Chemical Property Profile of N-Benzoyl-beta-alanine Methyl Ester
Property Insights of N-Benzoyl-beta-alanine Methyl Ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzoyl-beta-alanine Methyl Ester. With a topological polar surface area (TPSA) of 55.4 Ų, N-Benzoyl-beta-alanine Methyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzoyl-beta-alanine Methyl Ester has 1 hydrogen bond donor(s) and 3 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-Benzoyl-beta-alanine Methyl Ester?
The CAS number of N-Benzoyl-beta-alanine Methyl Ester is 89928-06-3.
What is the molecular formula of N-Benzoyl-beta-alanine Methyl Ester?
The molecular formula of N-Benzoyl-beta-alanine Methyl Ester is C11H13NO3.
What is the molecular weight of N-Benzoyl-beta-alanine Methyl Ester?
The molecular weight of N-Benzoyl-beta-alanine Methyl Ester is 207.09 g/mol.
Where can I buy N-Benzoyl-beta-alanine Methyl Ester?
You can request a quote for N-Benzoyl-beta-alanine Methyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzoyl-beta-alanine Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for N-Benzoyl-beta-alanine Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.