beta-Amino-2-methyl-benzenepropanoic acid ethyl ester
TL;DR: beta-Amino-2-methyl-benzenepropanoic acid ethyl ester (CAS 21464-57-3) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-3-(2-methylphenyl)propanoate
Also Known As: ethyl 3-amino-3-(2-methylphenyl)propanoate, beta-Amino-2-methyl-benzenepropanoic acid ethyl ester, 111-427-8, RefChem:567241
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 1.94802 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 336.14893 |
Chemical Identifiers
| CAS Number | 21464-57-3 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CC=CC=C1C)N |
Product Overview
beta-Amino-2-methyl-benzenepropanoic acid ethyl ester (CAS 21464-57-3), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: ethyl 3-amino-3-(2-methylphenyl)propanoate.
Chemical Property Profile of beta-Amino-2-methyl-benzenepropanoic acid ethyl ester
Property Insights of beta-Amino-2-methyl-benzenepropanoic acid ethyl ester
The XLogP value of 1.94802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Amino-2-methyl-benzenepropanoic acid ethyl ester. With a topological polar surface area (TPSA) of 52.32 Ų, beta-Amino-2-methyl-benzenepropanoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Amino-2-methyl-benzenepropanoic acid ethyl 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 beta-Amino-2-methyl-benzenepropanoic acid ethyl ester?
The CAS number of beta-Amino-2-methyl-benzenepropanoic acid ethyl ester is 21464-57-3.
What is the molecular formula of beta-Amino-2-methyl-benzenepropanoic acid ethyl ester?
The molecular formula of beta-Amino-2-methyl-benzenepropanoic acid ethyl ester is C12H17NO2.
What is the molecular weight of beta-Amino-2-methyl-benzenepropanoic acid ethyl ester?
The molecular weight of beta-Amino-2-methyl-benzenepropanoic acid ethyl ester is 207.13 g/mol.
Where can I buy beta-Amino-2-methyl-benzenepropanoic acid ethyl ester?
You can request a quote for beta-Amino-2-methyl-benzenepropanoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Amino-2-methyl-benzenepropanoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Amino-2-methyl-benzenepropanoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.