![2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate structure](/static/products/3328/332860-76-1.webp)
2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate
TL;DR: 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate (CAS 332860-76-1) is a chemical compound with molecular formula C13H15FN2OS2 and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluoroanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate
Also Known As: BAS 01847581, 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate, 2-(4-fluoroanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate, [2-(4-fluoroanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate, 1-Pyrrolidinecarbodithioic acid, 2-[(4-fluorophenyl)amino]-2-oxoethyl ester
| Molecular Formula | C13H15FN2OS2 |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.06097 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 332860-76-1 |
|---|---|
| SMILES | C1CCN(C1)C(=S)SCC(=O)NC2=CC=C(C=C2)F |
| InChIKey | PHCKBYHMYLTNIP-UHFFFAOYSA-N |
Product Overview
2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate (CAS 332860-76-1), with molecular formula C13H15FN2OS2 and molecular weight 298.06 g/mol. IUPAC: [2-(4-fluoroanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate.
Chemical Property Profile of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate
Property Insights of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate. Following Lipinski's Rule of Five, 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate 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 1-pyrrolidinecarbodithioate?
The CAS number of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate is 332860-76-1.
What is the molecular formula of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate?
The molecular formula of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate is C13H15FN2OS2.
What is the molecular weight of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate?
The molecular weight of 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate is 298.06 g/mol.
Where can I buy 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate?
You can request a quote for 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate 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 1-pyrrolidinecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Fluorophenyl)amino]-2-oxoethyl 1-pyrrolidinecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.