![2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate structure](/static/products/5870/587012-72-4.webp)
2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate
TL;DR: 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate (CAS 587012-72-4) is a chemical compound with molecular formula C21H21ClN2O2S2 and molecular weight 432.07 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] piperidine-1-carbodithioate
Also Known As: 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate, [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] piperidine-1-carbodithioate, 2-((2-benzoyl-4-chlorophenyl)amino)-2-oxoethyl piperidine-1-carbodithioate, N-(2-benzoyl-4-chloro-phenyl)-2-(piperidine-1-carbothioylsulfanyl)acetamide, [(2-BENZOYL-4-CHLOROPHENYL)CARBAMOYL]METHYL PIPERIDINE-1-CARBODITHIOATE
| Molecular Formula | C21H21ClN2O2S2 |
|---|---|
| Molecular Weight | 432.07 g/mol |
| LogP | 5.0135 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.0733 |
| Heavy Atoms | 28 |
| Complexity | 867.96423 |
Chemical Identifiers
| CAS Number | 587012-72-4 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)SCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3 |
Product Overview
2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate (CAS 587012-72-4), with molecular formula C21H21ClN2O2S2 and molecular weight 432.07 g/mol. IUPAC: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] piperidine-1-carbodithioate.
Chemical Property Profile of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate
Property Insights of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate
The XLogP value of 5.0135 indicates that 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate 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 piperidine-1-carbodithioate 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 piperidine-1-carbodithioate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate?
The CAS number of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate is 587012-72-4.
What is the molecular formula of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate?
The molecular formula of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate is C21H21ClN2O2S2.
What is the molecular weight of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate?
The molecular weight of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate is 432.07 g/mol.
Where can I buy 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate?
You can request a quote for 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-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-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl piperidine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.