D,L-N-(Phenylacetyl)-alanine methyl ester
TL;DR: D,L-N-(Phenylacetyl)-alanine methyl ester (CAS 64562-94-3) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-phenylacetyl)amino]propanoate
Also Known As: Methyl N-(phenylacetyl)alaninate, methyl 2-[(2-phenylacetyl)amino]propanoate, N-Phenylacetyl alanine methyl ester, methyl 2-(2-phenylacetamido)propanoate, D,L-N-(PHENYLACETYL)-ALANINE METHYL ESTER
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 64562-94-3 |
|---|---|
| SMILES | CC(C(=O)OC)NC(=O)CC1=CC=CC=C1 |
| InChIKey | DLCNTEDUKYKOIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
D,L-N-(Phenylacetyl)-alanine methyl ester (CAS 64562-94-3), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: methyl 2-[(2-phenylacetyl)amino]propanoate.
Chemical Property Profile of D,L-N-(Phenylacetyl)-alanine methyl ester
Property Insights of D,L-N-(Phenylacetyl)-alanine methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D,L-N-(Phenylacetyl)-alanine methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, D,L-N-(Phenylacetyl)-alanine methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D,L-N-(Phenylacetyl)-alanine 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 D,L-N-(Phenylacetyl)-alanine methyl ester?
The CAS number of D,L-N-(Phenylacetyl)-alanine methyl ester is 64562-94-3.
What is the molecular formula of D,L-N-(Phenylacetyl)-alanine methyl ester?
The molecular formula of D,L-N-(Phenylacetyl)-alanine methyl ester is C12H15NO3.
What is the molecular weight of D,L-N-(Phenylacetyl)-alanine methyl ester?
The molecular weight of D,L-N-(Phenylacetyl)-alanine methyl ester is 221.11 g/mol.
Where can I buy D,L-N-(Phenylacetyl)-alanine methyl ester?
You can request a quote for D,L-N-(Phenylacetyl)-alanine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D,L-N-(Phenylacetyl)-alanine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for D,L-N-(Phenylacetyl)-alanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.