Benzeneacetic acid, alpha-methyl-2-(phenylthio)-
TL;DR: Benzeneacetic acid, alpha-methyl-2-(phenylthio)- (CAS 58844-68-1) is a chemical compound with molecular formula C15H14O2S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylsulfanylphenyl)propanoic acid
Also Known As: 2-(2'-Phenylthio)phenylpropionic acid, alpha-Methyl-2-(phenylthio)benzeneacetic acid, Propionic acid, 2-(o-(phenylthio)phenyl)-, Benzeneacetic acid, alpha-methyl-2-(phenylthio)-, 2-(2-phenylsulfanylphenyl)propanoic acid
| Molecular Formula | C15H14O2S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 4.0259 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.07144 |
| Heavy Atoms | 18 |
| Complexity | 537.1997 |
Chemical Identifiers
| CAS Number | 58844-68-1 |
|---|---|
| SMILES | CC(C1=CC=CC=C1SC2=CC=CC=C2)C(=O)O |
Product Overview
Benzeneacetic acid, alpha-methyl-2-(phenylthio)- (CAS 58844-68-1), with molecular formula C15H14O2S and molecular weight 258.07 g/mol. IUPAC: 2-(2-phenylsulfanylphenyl)propanoic acid.
Chemical Property Profile of Benzeneacetic acid, alpha-methyl-2-(phenylthio)-
Property Insights of Benzeneacetic acid, alpha-methyl-2-(phenylthio)-
The XLogP value of 4.0259 indicates that Benzeneacetic acid, alpha-methyl-2-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzeneacetic acid, alpha-methyl-2-(phenylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-methyl-2-(phenylthio)- has 1 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 Benzeneacetic acid, alpha-methyl-2-(phenylthio)-?
The CAS number of Benzeneacetic acid, alpha-methyl-2-(phenylthio)- is 58844-68-1.
What is the molecular formula of Benzeneacetic acid, alpha-methyl-2-(phenylthio)-?
The molecular formula of Benzeneacetic acid, alpha-methyl-2-(phenylthio)- is C15H14O2S.
What is the molecular weight of Benzeneacetic acid, alpha-methyl-2-(phenylthio)-?
The molecular weight of Benzeneacetic acid, alpha-methyl-2-(phenylthio)- is 258.07 g/mol.
Where can I buy Benzeneacetic acid, alpha-methyl-2-(phenylthio)-?
You can request a quote for Benzeneacetic acid, alpha-methyl-2-(phenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-methyl-2-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-methyl-2-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.