Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate
TL;DR: Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate (CAS 6958-37-8) is a chemical compound with molecular formula C17H16O5S and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate
Also Known As: ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate, ethyl 3-oxo-3-phenyl-2-(phenylsulfonyl)propanoate, 3-Phenyl-2-(phenylsulfonyl)-3-oxopropanoic acid ethyl ester, alpha-(Phenylsulfonyl)-beta-oxobenzenepropionic acid ethyl ester, Benzenepropanoic acid, b-oxo-a-(phenylsulfonyl)-, ethyl ester
| Molecular Formula | C17H16O5S |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 85.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.07184 |
| Heavy Atoms | 23 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 6958-37-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | IONFTTKWFMMQLU-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate (CAS 6958-37-8), with molecular formula C17H16O5S and molecular weight 332.07 g/mol. IUPAC: ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate.
Chemical Property Profile of Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate
Property Insights of Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate
The XLogP value of 3.1 indicates that Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate. Following Lipinski's Rule of Five, Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate has 0 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 Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate?
The CAS number of Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate is 6958-37-8.
What is the molecular formula of Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate?
The molecular formula of Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate is C17H16O5S.
What is the molecular weight of Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate?
The molecular weight of Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate is 332.07 g/mol.
Where can I buy Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate?
You can request a quote for Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(benzenesulfonyl)-3-oxo-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.