N-Phenylalanine methyl ester
TL;DR: N-Phenylalanine methyl ester (CAS 709-80-8) 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.
methyl 2-anilinopropanoate
Also Known As: methyl 2-anilinopropanoate, methyl N-phenylalaninate, n-phenylalanine methyl ester, METHYL 2-(PHENYLAMINO)PROPANOATE, 2-Anilinopropanoic acid methyl ester
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.66 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 271.51306 |
Chemical Identifiers
| CAS Number | 709-80-8 |
|---|---|
| SMILES | CC(C(=O)OC)NC1=CC=CC=C1 |
Product Overview
N-Phenylalanine methyl ester (CAS 709-80-8), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: methyl 2-anilinopropanoate.
Chemical Property Profile of N-Phenylalanine methyl ester
Property Insights of N-Phenylalanine methyl ester
The XLogP value of 1.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Phenylalanine methyl ester. With a topological polar surface area (TPSA) of 38.33 Ų, N-Phenylalanine methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Phenylalanine methyl 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 N-Phenylalanine methyl ester?
The CAS number of N-Phenylalanine methyl ester is 709-80-8.
What is the molecular formula of N-Phenylalanine methyl ester?
The molecular formula of N-Phenylalanine methyl ester is C10H13NO2.
What is the molecular weight of N-Phenylalanine methyl ester?
The molecular weight of N-Phenylalanine methyl ester is 179.09 g/mol.
Where can I buy N-Phenylalanine methyl ester?
You can request a quote for N-Phenylalanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Phenylalanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Phenylalanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.