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2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate
TL;DR: 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate (CAS 341019-62-3) is a chemical compound with molecular formula C13H17FN2OS2 and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluoroanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
Also Known As: 2-[(4-fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate, A2845/0120046, [2-(4-fluoroanilino)-2-oxoethyl] N,N-diethylcarbamodithioate, 2-((4-fluorophenyl)amino)-2-oxoethyl diethylcarbamodithioate, 2-[(4-fluorophenyl)amino]-2-oxoethyl diethylcarbamodithioate
| Molecular Formula | C13H17FN2OS2 |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 3.1241 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.07663 |
| Heavy Atoms | 19 |
| Complexity | 432.7743 |
Chemical Identifiers
| CAS Number | 341019-62-3 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=O)NC1=CC=C(C=C1)F |
Product Overview
2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate (CAS 341019-62-3), with molecular formula C13H17FN2OS2 and molecular weight 300.08 g/mol. IUPAC: [2-(4-fluoroanilino)-2-oxoethyl] N,N-diethylcarbamodithioate.
Chemical Property Profile of 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate
Property Insights of 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate
The XLogP value of 3.1241 indicates that 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate has 1 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)amino]-2-oxoethyl diethyldithiocarbamate?
The CAS number of 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate is 341019-62-3.
What is the molecular formula of 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate?
The molecular formula of 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate is C13H17FN2OS2.
What is the molecular weight of 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate?
The molecular weight of 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate is 300.08 g/mol.
Where can I buy 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate?
You can request a quote for 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate 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 diethyldithiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Fluorophenyl)amino]-2-oxoethyl diethyldithiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.