Benzyl L-alaninate hydrochloride
TL;DR: Benzyl L-alaninate hydrochloride (CAS 17831-01-5) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-aminopropanoate
Also Known As: benzyl 2-aminopropanoate, benzyl alaninate, null, Benzyl L-alaninate HCl, L-alanine benzyl ester
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 17831-01-5 |
|---|---|
| SMILES | CC(C(=O)OCC1=CC=CC=C1)N |
| InChIKey | YGYLYUIRSJSFJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl L-alaninate hydrochloride (CAS 17831-01-5), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: benzyl 2-aminopropanoate.
Chemical Property Profile of Benzyl L-alaninate hydrochloride
Property Insights of Benzyl L-alaninate hydrochloride
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl L-alaninate hydrochloride. With a topological polar surface area (TPSA) of 52.3 Ų, Benzyl L-alaninate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl L-alaninate hydrochloride 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 Benzyl L-alaninate hydrochloride?
The CAS number of Benzyl L-alaninate hydrochloride is 17831-01-5.
What is the molecular formula of Benzyl L-alaninate hydrochloride?
The molecular formula of Benzyl L-alaninate hydrochloride is C10H13NO2.
What is the molecular weight of Benzyl L-alaninate hydrochloride?
The molecular weight of Benzyl L-alaninate hydrochloride is 179.09 g/mol.
Where can I buy Benzyl L-alaninate hydrochloride?
You can request a quote for Benzyl L-alaninate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl L-alaninate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzyl L-alaninate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.