![2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate structure](/static/products/956/956358-26-2.png)
2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate
TL;DR: 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate (CAS 956358-26-2) is a chemical compound with molecular formula C16H14FNO4S and molecular weight 335.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluoroanilino)-2-oxoethyl] 2-methylsulfinylbenzoate
Also Known As: 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate, [2-(4-fluoroanilino)-2-oxoethyl] 2-methylsulfinylbenzoate, 2-(4-Fluoroanilino)-2-oxoethyl 2-(methanesulfinyl)benzoate
| Molecular Formula | C16H14FNO4S |
|---|---|
| Molecular Weight | 335.06 g/mol |
| LogP | 2.3586 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.06274 |
| Heavy Atoms | 23 |
| Complexity | 746.00037 |
Chemical Identifiers
| CAS Number | 956358-26-2 |
|---|---|
| SMILES | CS(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)F |
Product Overview
2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate (CAS 956358-26-2), with molecular formula C16H14FNO4S and molecular weight 335.06 g/mol. IUPAC: [2-(4-fluoroanilino)-2-oxoethyl] 2-methylsulfinylbenzoate.
Chemical Property Profile of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate
Property Insights of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate
The XLogP value of 2.3586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate. Following Lipinski's Rule of Five, 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate has 1 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 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate?
The CAS number of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate is 956358-26-2.
What is the molecular formula of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate?
The molecular formula of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate is C16H14FNO4S.
What is the molecular weight of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate?
The molecular weight of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate is 335.06 g/mol.
Where can I buy 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate?
You can request a quote for 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Fluorophenyl)amino]-2-oxoethyl 2-(methylsulfinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.