![N-[2-(4-Methoxyphenylthio)ethyl]alanine structure](/static/products/642/64276-43-3.png)
N-[2-(4-Methoxyphenylthio)ethyl]alanine
TL;DR: N-[2-(4-Methoxyphenylthio)ethyl]alanine (CAS 64276-43-3) is a chemical compound with molecular formula C12H17NO3S and molecular weight 255.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-methoxyphenyl)sulfanylethylamino]propanoic acid
Also Known As: N-[2-(4-Methoxyphenylthio)ethyl]alanine, N-(2-[(4-Methoxyphenyl)sulfanyl]ethyl)alanine #, 2-[[2-[(4-methoxyphenyl)thio]ethyl]amino]propanoic acid, 2-[2-(4-methoxyphenyl)sulfanylethylamino]propanoic acid
| Molecular Formula | C12H17NO3S |
|---|---|
| Molecular Weight | 255.09 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.09291 |
| Heavy Atoms | 17 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 64276-43-3 |
|---|---|
| SMILES | CC(C(=O)O)NCCSC1=CC=C(C=C1)OC |
| InChIKey | WEJTUTIUWRANSN-UHFFFAOYSA-N |
Product Overview
N-[2-(4-Methoxyphenylthio)ethyl]alanine (CAS 64276-43-3), with molecular formula C12H17NO3S and molecular weight 255.09 g/mol. IUPAC: 2-[2-(4-methoxyphenyl)sulfanylethylamino]propanoic acid.
Chemical Property Profile of N-[2-(4-Methoxyphenylthio)ethyl]alanine
Property Insights of N-[2-(4-Methoxyphenylthio)ethyl]alanine
The XLogP value of -0.3 indicates that N-[2-(4-Methoxyphenylthio)ethyl]alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(4-Methoxyphenylthio)ethyl]alanine. Following Lipinski's Rule of Five, N-[2-(4-Methoxyphenylthio)ethyl]alanine has 2 hydrogen bond donor(s) and 5 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-Methoxyphenylthio)ethyl]alanine?
The CAS number of N-[2-(4-Methoxyphenylthio)ethyl]alanine is 64276-43-3.
What is the molecular formula of N-[2-(4-Methoxyphenylthio)ethyl]alanine?
The molecular formula of N-[2-(4-Methoxyphenylthio)ethyl]alanine is C12H17NO3S.
What is the molecular weight of N-[2-(4-Methoxyphenylthio)ethyl]alanine?
The molecular weight of N-[2-(4-Methoxyphenylthio)ethyl]alanine is 255.09 g/mol.
Where can I buy N-[2-(4-Methoxyphenylthio)ethyl]alanine?
You can request a quote for N-[2-(4-Methoxyphenylthio)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-Methoxyphenylthio)ethyl]alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(4-Methoxyphenylthio)ethyl]alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.