N-benzoyl-phenylalanine methyl ester
TL;DR: N-benzoyl-phenylalanine methyl ester (CAS 3005-61-6) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-benzamido-3-phenylpropanoate
Also Known As: methyl 3-phenyl-2-(phenylformamido)propanoate, methyl 2-benzamido-3-phenylpropanoate, methyl 2-benzoylamino-3-phenylpropyionate, Methyl N-benzoylphenylalaninate, MEGxm0_000351
| Molecular Formula | C17H17NO3 |
|---|---|
| Molecular Weight | 283.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 283.12085 |
| Heavy Atoms | 21 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 3005-61-6 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2 |
| InChIKey | BRQQPHKRRCUYLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-benzoyl-phenylalanine methyl ester (CAS 3005-61-6), with molecular formula C17H17NO3 and molecular weight 283.12 g/mol. IUPAC: methyl 2-benzamido-3-phenylpropanoate.
Chemical Property Profile of N-benzoyl-phenylalanine methyl ester
Property Insights of N-benzoyl-phenylalanine methyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzoyl-phenylalanine methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, N-benzoyl-phenylalanine methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzoyl-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-benzoyl-phenylalanine methyl ester?
The CAS number of N-benzoyl-phenylalanine methyl ester is 3005-61-6.
What is the molecular formula of N-benzoyl-phenylalanine methyl ester?
The molecular formula of N-benzoyl-phenylalanine methyl ester is C17H17NO3.
What is the molecular weight of N-benzoyl-phenylalanine methyl ester?
The molecular weight of N-benzoyl-phenylalanine methyl ester is 283.12 g/mol.
Where can I buy N-benzoyl-phenylalanine methyl ester?
You can request a quote for N-benzoyl-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-benzoyl-phenylalanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-benzoyl-phenylalanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.