2-((2-Oxo-2-phenylethyl)thio)benzoic acid
TL;DR: 2-((2-Oxo-2-phenylethyl)thio)benzoic acid (CAS 25803-71-8) is a chemical compound with molecular formula C15H12O3S and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenacylsulfanylbenzoic acid
Also Known As: 2-[(2-OXO-2-PHENYLETHYL)THIO]BENZOIC ACID, 2-phenacylsulfanylbenzoic acid, o-(phenacylthio)benzoic acid, 2-(2-Oxo-2-phenyl-ethylsulfanyl)-benzoic acid, 2-[(2-oxo-2-phenylethyl)sulfanyl]benzoic acid
| Molecular Formula | C15H12O3S |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 3.3598 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.05072 |
| Heavy Atoms | 19 |
| Complexity | 593.3495 |
Chemical Identifiers
| CAS Number | 25803-71-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O |
Product Overview
2-((2-Oxo-2-phenylethyl)thio)benzoic acid (CAS 25803-71-8), with molecular formula C15H12O3S and molecular weight 272.05 g/mol. IUPAC: 2-phenacylsulfanylbenzoic acid.
Chemical Property Profile of 2-((2-Oxo-2-phenylethyl)thio)benzoic acid
Property Insights of 2-((2-Oxo-2-phenylethyl)thio)benzoic acid
The XLogP value of 3.3598 indicates that 2-((2-Oxo-2-phenylethyl)thio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 2-((2-Oxo-2-phenylethyl)thio)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Oxo-2-phenylethyl)thio)benzoic 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-((2-Oxo-2-phenylethyl)thio)benzoic acid?
The CAS number of 2-((2-Oxo-2-phenylethyl)thio)benzoic acid is 25803-71-8.
What is the molecular formula of 2-((2-Oxo-2-phenylethyl)thio)benzoic acid?
The molecular formula of 2-((2-Oxo-2-phenylethyl)thio)benzoic acid is C15H12O3S.
What is the molecular weight of 2-((2-Oxo-2-phenylethyl)thio)benzoic acid?
The molecular weight of 2-((2-Oxo-2-phenylethyl)thio)benzoic acid is 272.05 g/mol.
Where can I buy 2-((2-Oxo-2-phenylethyl)thio)benzoic acid?
You can request a quote for 2-((2-Oxo-2-phenylethyl)thio)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Oxo-2-phenylethyl)thio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Oxo-2-phenylethyl)thio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.