![Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester structure](/static/products/512/512193-77-0.png)
Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester
TL;DR: Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester (CAS 512193-77-0) is a chemical compound with molecular formula C17H16O3S and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-phenylacetate
Also Known As: Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester, 2-[4-(Methylsulfanyl)phenyl]-2-oxoethyl phenylacetate, 2-Thiophenesulfonamide,4-amino-3-hydroxy-N,N-dimethyl, [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-phenylacetate, [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-phenylacetate
| Molecular Formula | C17H16O3S |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 3.3771 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.082 |
| Heavy Atoms | 21 |
| Complexity | 605.69214 |
Chemical Identifiers
| CAS Number | 512193-77-0 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(=O)COC(=O)CC2=CC=CC=C2 |
Product Overview
Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester (CAS 512193-77-0), with molecular formula C17H16O3S and molecular weight 300.08 g/mol. IUPAC: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-phenylacetate.
Chemical Property Profile of Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester
Property Insights of Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester
The XLogP value of 3.3771 indicates that Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester has 0 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 Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester?
The CAS number of Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester is 512193-77-0.
What is the molecular formula of Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester?
The molecular formula of Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester is C17H16O3S.
What is the molecular weight of Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester?
The molecular weight of Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester is 300.08 g/mol.
Where can I buy Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester?
You can request a quote for Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 2-[4-(methylthio)phenyl]-2-oxoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.