![N-[2-(4-Methylphenylthio)ethyl]alanine structure](/static/products/642/64276-34-2.png)
N-[2-(4-Methylphenylthio)ethyl]alanine
TL;DR: N-[2-(4-Methylphenylthio)ethyl]alanine (CAS 64276-34-2) is a chemical compound with molecular formula C12H17NO2S and molecular weight 239.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methylphenyl)sulfanylethylamino]propanoic acid
Also Known As: N-[2-(4-Methylphenylthio)ethyl]alanine, N-(2-[(4-Methylphenyl)sulfanyl]ethyl)alanine #, 2-[[2-[(4-methylphenyl)thio]ethyl]amino]-propanoic acid, 2-[2-(4-methylphenyl)sulfanylethylamino]propanoic acid
| Molecular Formula | C12H17NO2S |
|---|---|
| Molecular Weight | 239.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.098 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 64276-34-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCCNC(C)C(=O)O |
| InChIKey | CCAXVRKRRIHBQA-UHFFFAOYSA-N |
Product Overview
N-[2-(4-Methylphenylthio)ethyl]alanine (CAS 64276-34-2), with molecular formula C12H17NO2S and molecular weight 239.10 g/mol. IUPAC: 2-[2-(4-methylphenyl)sulfanylethylamino]propanoic acid.
Chemical Property Profile of N-[2-(4-Methylphenylthio)ethyl]alanine
Property Insights of N-[2-(4-Methylphenylthio)ethyl]alanine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(4-Methylphenylthio)ethyl]alanine. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(4-Methylphenylthio)ethyl]alanine. Following Lipinski's Rule of Five, N-[2-(4-Methylphenylthio)ethyl]alanine has 2 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 N-[2-(4-Methylphenylthio)ethyl]alanine?
The CAS number of N-[2-(4-Methylphenylthio)ethyl]alanine is 64276-34-2.
What is the molecular formula of N-[2-(4-Methylphenylthio)ethyl]alanine?
The molecular formula of N-[2-(4-Methylphenylthio)ethyl]alanine is C12H17NO2S.
What is the molecular weight of N-[2-(4-Methylphenylthio)ethyl]alanine?
The molecular weight of N-[2-(4-Methylphenylthio)ethyl]alanine is 239.10 g/mol.
Where can I buy N-[2-(4-Methylphenylthio)ethyl]alanine?
You can request a quote for N-[2-(4-Methylphenylthio)ethyl]alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(4-Methylphenylthio)ethyl]alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-Methylphenylthio)ethyl]alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.