2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate
TL;DR: 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate (CAS 157302-17-5) is a chemical compound with molecular formula C13H14FNOS2 and molecular weight 283.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluorophenyl)-2-oxoethyl] pyrrolidine-1-carbodithioate
Also Known As: 2-(4-fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate, [2-(4-fluorophenyl)-2-oxoethyl] pyrrolidine-1-carbodithioate
| Molecular Formula | C13H14FNOS2 |
|---|---|
| Molecular Weight | 283.05 g/mol |
| LogP | 3.1223 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.05008 |
| Heavy Atoms | 18 |
| Complexity | 440.8094 |
Chemical Identifiers
| CAS Number | 157302-17-5 |
|---|---|
| SMILES | C1CCN(C1)C(=S)SCC(=O)C2=CC=C(C=C2)F |
Product Overview
2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate (CAS 157302-17-5), with molecular formula C13H14FNOS2 and molecular weight 283.05 g/mol. IUPAC: [2-(4-fluorophenyl)-2-oxoethyl] pyrrolidine-1-carbodithioate.
Chemical Property Profile of 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate
Property Insights of 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate
The XLogP value of 3.1223 indicates that 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate has 0 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-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate?
The CAS number of 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate is 157302-17-5.
What is the molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate?
The molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate is C13H14FNOS2.
What is the molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate?
The molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate is 283.05 g/mol.
Where can I buy 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate?
You can request a quote for 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate 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 pyrrolidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-2-oxoethyl pyrrolidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.