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2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate
TL;DR: 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate (CAS 650592-65-7) is a chemical compound with molecular formula C20H21ClN2O2S2 and molecular weight 420.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
Also Known As: 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate, [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] N,N-diethylcarbamodithioate, 2-((2-benzoyl-4-chlorophenyl)amino)-2-oxoethyl diethylcarbamodithioate, 2-[(diethylamino)thioxomethylthio]-N-[4-chloro-2-(phenylcarbonyl)phenyl]acetam ide, N-(2-BENZOYL-4-CHLOROPHENYL)-2-[(DIETHYLCARBAMOTHIOYL)SULFANYL]ACETAMIDE
| Molecular Formula | C20H21ClN2O2S2 |
|---|---|
| Molecular Weight | 420.07 g/mol |
| LogP | 4.8694 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.0733 |
| Heavy Atoms | 27 |
| Complexity | 823.9863 |
Chemical Identifiers
| CAS Number | 650592-65-7 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2 |
Product Overview
2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate (CAS 650592-65-7), with molecular formula C20H21ClN2O2S2 and molecular weight 420.07 g/mol. IUPAC: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] N,N-diethylcarbamodithioate.
Chemical Property Profile of 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate
Property Insights of 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate
The XLogP value of 4.8694 indicates that 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate 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-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate?
The CAS number of 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate is 650592-65-7.
What is the molecular formula of 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate?
The molecular formula of 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate is C20H21ClN2O2S2.
What is the molecular weight of 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate?
The molecular weight of 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate is 420.07 g/mol.
Where can I buy 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate?
You can request a quote for 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-Chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.