Benzyl 2-amino-3-(4-methoxyphenyl)propanoate
TL;DR: Benzyl 2-amino-3-(4-methoxyphenyl)propanoate (CAS 52177-40-9) is a chemical compound with molecular formula C17H19NO3 and molecular weight 285.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-amino-3-(4-methoxyphenyl)propanoate
Also Known As: Benzyl O-methyltyrosinate, benzyl 2-amino-3-(4-methoxyphenyl)propanoate, 2-Amino-3-(4-methoxy-phenyl)-propionic acid benzyl ester, benzyl (2S)-2-amino-3-(4-methoxyphenyl)propanoate, 2-amino-3-(4-methoxyphenyl)propanoic acid benzyl ester
| Molecular Formula | C17H19NO3 |
|---|---|
| Molecular Weight | 285.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.1365 |
| Heavy Atoms | 21 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 52177-40-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N |
| InChIKey | JYRNVSKKZGIZOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-amino-3-(4-methoxyphenyl)propanoate (CAS 52177-40-9), with molecular formula C17H19NO3 and molecular weight 285.14 g/mol. IUPAC: benzyl 2-amino-3-(4-methoxyphenyl)propanoate.
Chemical Property Profile of Benzyl 2-amino-3-(4-methoxyphenyl)propanoate
Property Insights of Benzyl 2-amino-3-(4-methoxyphenyl)propanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-amino-3-(4-methoxyphenyl)propanoate. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-amino-3-(4-methoxyphenyl)propanoate. Following Lipinski's Rule of Five, Benzyl 2-amino-3-(4-methoxyphenyl)propanoate has 1 hydrogen bond donor(s) and 4 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 2-amino-3-(4-methoxyphenyl)propanoate?
The CAS number of Benzyl 2-amino-3-(4-methoxyphenyl)propanoate is 52177-40-9.
What is the molecular formula of Benzyl 2-amino-3-(4-methoxyphenyl)propanoate?
The molecular formula of Benzyl 2-amino-3-(4-methoxyphenyl)propanoate is C17H19NO3.
What is the molecular weight of Benzyl 2-amino-3-(4-methoxyphenyl)propanoate?
The molecular weight of Benzyl 2-amino-3-(4-methoxyphenyl)propanoate is 285.14 g/mol.
Where can I buy Benzyl 2-amino-3-(4-methoxyphenyl)propanoate?
You can request a quote for Benzyl 2-amino-3-(4-methoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-amino-3-(4-methoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-amino-3-(4-methoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.