phenylalanine O-benzyl ester
TL;DR: phenylalanine O-benzyl ester (CAS 962-39-0) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-amino-3-phenylpropanoate
Also Known As: Phenylalanine O-benzyl ester, Benzyl 3-phenyl-L-alaninate, benzyl L-phenylalaninate, benzyl 2-amino-3-phenylpropanoate, L-Phenylalanine benzyl ester
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 962-39-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N |
| InChIKey | FPRSPUHXEPWUBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
phenylalanine O-benzyl ester (CAS 962-39-0), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: benzyl 2-amino-3-phenylpropanoate.
Chemical Property Profile of phenylalanine O-benzyl ester
Property Insights of phenylalanine O-benzyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenylalanine O-benzyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, phenylalanine O-benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, phenylalanine O-benzyl 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 phenylalanine O-benzyl ester?
The CAS number of phenylalanine O-benzyl ester is 962-39-0.
What is the molecular formula of phenylalanine O-benzyl ester?
The molecular formula of phenylalanine O-benzyl ester is C16H17NO2.
What is the molecular weight of phenylalanine O-benzyl ester?
The molecular weight of phenylalanine O-benzyl ester is 255.13 g/mol.
Where can I buy phenylalanine O-benzyl ester?
You can request a quote for phenylalanine O-benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenylalanine O-benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for phenylalanine O-benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.