N-(3-Phenylpropionyl)glycine methylthio ester
TL;DR: N-(3-Phenylpropionyl)glycine methylthio ester (CAS 81811-83-8) is a chemical compound with molecular formula C12H15NO2S and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
Also Known As: Nppgmte, N-(3-Phenylpropionyl)glycine methylthio ester, N-(beta-Phenylpropionyl)glycine methylthio ester, O-Methyl ((1-oxo-3-phenylpropyl)amino)ethanethioate, 2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
| Molecular Formula | C12H15NO2S |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 1.50022 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.08235 |
| Heavy Atoms | 16 |
| Complexity | 390.36008 |
Chemical Identifiers
| CAS Number | 81811-83-8 |
|---|---|
| SMILES | CC1=CC=CC=C1CCC(=O)NCC(=O)S |
Product Overview
N-(3-Phenylpropionyl)glycine methylthio ester (CAS 81811-83-8), with molecular formula C12H15NO2S and molecular weight 237.08 g/mol. IUPAC: 2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid.
Chemical Property Profile of N-(3-Phenylpropionyl)glycine methylthio ester
Property Insights of N-(3-Phenylpropionyl)glycine methylthio ester
The XLogP value of 1.50022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Phenylpropionyl)glycine methylthio ester. With a topological polar surface area (TPSA) of 46.17 Ų, N-(3-Phenylpropionyl)glycine methylthio ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Phenylpropionyl)glycine methylthio ester has 2 hydrogen bond donor(s) and 2 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-(3-Phenylpropionyl)glycine methylthio ester?
The CAS number of N-(3-Phenylpropionyl)glycine methylthio ester is 81811-83-8.
What is the molecular formula of N-(3-Phenylpropionyl)glycine methylthio ester?
The molecular formula of N-(3-Phenylpropionyl)glycine methylthio ester is C12H15NO2S.
What is the molecular weight of N-(3-Phenylpropionyl)glycine methylthio ester?
The molecular weight of N-(3-Phenylpropionyl)glycine methylthio ester is 237.08 g/mol.
Where can I buy N-(3-Phenylpropionyl)glycine methylthio ester?
You can request a quote for N-(3-Phenylpropionyl)glycine methylthio ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Phenylpropionyl)glycine methylthio ester?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Phenylpropionyl)glycine methylthio ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.