![2-[(4-Methoxyphenyl)methylthio]propanoic acid structure](/static/products/122/122305-68-4.png)
2-[(4-Methoxyphenyl)methylthio]propanoic acid
TL;DR: 2-[(4-Methoxyphenyl)methylthio]propanoic acid (CAS 122305-68-4) is a chemical compound with molecular formula C11H14O3S and molecular weight 226.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methylsulfanyl]propanoic acid
Also Known As: 2-(4-methoxybenzylthio)propanoic acid, 2-[(4-methoxyphenyl)methylsulfanyl]propanoic Acid, 2-[(4-methoxyphenyl)methylthio]propanoic acid
| Molecular Formula | C11H14O3S |
|---|---|
| Molecular Weight | 226.07 g/mol |
| LogP | 2.4015 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.06636 |
| Heavy Atoms | 15 |
| Complexity | 321.10986 |
Chemical Identifiers
| CAS Number | 122305-68-4 |
|---|---|
| SMILES | CC(C(=O)O)SCC1=CC=C(C=C1)OC |
Product Overview
2-[(4-Methoxyphenyl)methylthio]propanoic acid (CAS 122305-68-4), with molecular formula C11H14O3S and molecular weight 226.07 g/mol. IUPAC: 2-[(4-methoxyphenyl)methylsulfanyl]propanoic acid.
Chemical Property Profile of 2-[(4-Methoxyphenyl)methylthio]propanoic acid
Property Insights of 2-[(4-Methoxyphenyl)methylthio]propanoic acid
The XLogP value of 2.4015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Methoxyphenyl)methylthio]propanoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 2-[(4-Methoxyphenyl)methylthio]propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Methoxyphenyl)methylthio]propanoic acid 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 2-[(4-Methoxyphenyl)methylthio]propanoic acid?
The CAS number of 2-[(4-Methoxyphenyl)methylthio]propanoic acid is 122305-68-4.
What is the molecular formula of 2-[(4-Methoxyphenyl)methylthio]propanoic acid?
The molecular formula of 2-[(4-Methoxyphenyl)methylthio]propanoic acid is C11H14O3S.
What is the molecular weight of 2-[(4-Methoxyphenyl)methylthio]propanoic acid?
The molecular weight of 2-[(4-Methoxyphenyl)methylthio]propanoic acid is 226.07 g/mol.
Where can I buy 2-[(4-Methoxyphenyl)methylthio]propanoic acid?
You can request a quote for 2-[(4-Methoxyphenyl)methylthio]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Methoxyphenyl)methylthio]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methoxyphenyl)methylthio]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.