Phenylalanine-N-carboxylic acid dimethyl ester
TL;DR: Phenylalanine-N-carboxylic acid dimethyl ester (CAS 41844-71-7) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(methoxycarbonylamino)-3-phenylpropanoate
Also Known As: Phenylalanine-N-carboxylic acid dimethyl ester, methyl 2-(methoxycarbonylamino)-3-phenylpropanoate, Methyl 2-(methoxycarbonylamino)-3-phenyl-propanoate, (S)-Methyl 2-((methoxycarbonyl)amino)-3-phenylpropanoate, 2-(Methoxycarbonalamino)-3-phenylpropionsaeure-methylester
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 41844-71-7 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=CC=C1)NC(=O)OC |
| InChIKey | JIHFRPSFLTXYEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylalanine-N-carboxylic acid dimethyl ester (CAS 41844-71-7), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: methyl 2-(methoxycarbonylamino)-3-phenylpropanoate.
Chemical Property Profile of Phenylalanine-N-carboxylic acid dimethyl ester
Property Insights of Phenylalanine-N-carboxylic acid dimethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylalanine-N-carboxylic acid dimethyl ester. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylalanine-N-carboxylic acid dimethyl ester. Following Lipinski's Rule of Five, Phenylalanine-N-carboxylic acid dimethyl ester 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 Phenylalanine-N-carboxylic acid dimethyl ester?
The CAS number of Phenylalanine-N-carboxylic acid dimethyl ester is 41844-71-7.
What is the molecular formula of Phenylalanine-N-carboxylic acid dimethyl ester?
The molecular formula of Phenylalanine-N-carboxylic acid dimethyl ester is C12H15NO4.
What is the molecular weight of Phenylalanine-N-carboxylic acid dimethyl ester?
The molecular weight of Phenylalanine-N-carboxylic acid dimethyl ester is 237.10 g/mol.
Where can I buy Phenylalanine-N-carboxylic acid dimethyl ester?
You can request a quote for Phenylalanine-N-carboxylic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylalanine-N-carboxylic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phenylalanine-N-carboxylic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.