2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate
TL;DR: 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate (CAS 645342-04-7) is a chemical compound with molecular formula C16H19FO3S and molecular weight 310.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluorophenyl)-2-oxoethyl] 2-cyclohexylsulfanylacetate
Also Known As: 2-(4-fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate, [2-(4-fluorophenyl)-2-oxoethyl] 2-cyclohexylsulfanylacetate
| Molecular Formula | C16H19FO3S |
|---|---|
| Molecular Weight | 310.10 g/mol |
| LogP | 3.6175 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.10388 |
| Heavy Atoms | 21 |
| Complexity | 480.80038 |
Chemical Identifiers
| CAS Number | 645342-04-7 |
|---|---|
| SMILES | C1CCC(CC1)SCC(=O)OCC(=O)C2=CC=C(C=C2)F |
Product Overview
2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate (CAS 645342-04-7), with molecular formula C16H19FO3S and molecular weight 310.10 g/mol. IUPAC: [2-(4-fluorophenyl)-2-oxoethyl] 2-cyclohexylsulfanylacetate.
Chemical Property Profile of 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate
Property Insights of 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate
The XLogP value of 3.6175 indicates that 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate 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 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate?
The CAS number of 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate is 645342-04-7.
What is the molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate?
The molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate is C16H19FO3S.
What is the molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate?
The molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate is 310.10 g/mol.
Where can I buy 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate?
You can request a quote for 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate 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)-2-oxoethyl (cyclohexylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-2-oxoethyl (cyclohexylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.