L-Alanine ethyl ester
TL;DR: L-Alanine ethyl ester (CAS 3082-75-5) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-aminopropanoate
Also Known As: Ethyl alaninate, Alanine ethyl ester, ethyl l-alaninate, ethyl (2S)-2-aminopropanoate, alanine ethyl
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 3082-75-5 |
|---|---|
| SMILES | CCOC(=O)[C@H](C)N |
| InChIKey | ROBXZHNBBCHEIQ-BYPYZUCNSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
L-Alanine ethyl ester (CAS 3082-75-5), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: ethyl (2S)-2-aminopropanoate.
Chemical Property Profile of L-Alanine ethyl ester
Property Insights of L-Alanine ethyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Alanine ethyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, L-Alanine ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, L-Alanine 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 L-Alanine ethyl ester?
The CAS number of L-Alanine ethyl ester is 3082-75-5.
What is the molecular formula of L-Alanine ethyl ester?
The molecular formula of L-Alanine ethyl ester is C5H11NO2.
What is the molecular weight of L-Alanine ethyl ester?
The molecular weight of L-Alanine ethyl ester is 117.08 g/mol.
Where can I buy L-Alanine ethyl ester?
You can request a quote for L-Alanine ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Alanine ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for L-Alanine ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.