![2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate structure](/static/products/5779/577984-96-4.webp)
2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate
TL;DR: 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate (CAS 577984-96-4) is a chemical compound with molecular formula C27H26ClN3O2S2 and molecular weight 523.12 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] 4-benzylpiperazine-1-carbodithioate
Also Known As: 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate, [(2-BENZOYL-4-CHLOROPHENYL)CARBAMOYL]METHYL 4-BENZYLPIPERAZINE-1-CARBODITHIOATE, [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate, 2-((2-benzoyl-4-chlorophenyl)amino)-2-oxoethyl 4-benzylpiperazine-1-carbodithioate, N-(2-benzoyl-4-chloro-phenyl)-2-(4-benzylpiperazine-1-carbothioyl)sulfanyl-acetamide
| Molecular Formula | C27H26ClN3O2S2 |
|---|---|
| Molecular Weight | 523.12 g/mol |
| LogP | 5.3454 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.1155 |
| Heavy Atoms | 35 |
| Complexity | 1183.5454 |
Chemical Identifiers
| CAS Number | 577984-96-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=S)SCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4 |
Product Overview
2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate (CAS 577984-96-4), with molecular formula C27H26ClN3O2S2 and molecular weight 523.12 g/mol. IUPAC: [2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate.
Chemical Property Profile of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate
Property Insights of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate
The XLogP value of 5.3454 indicates that 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-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 4-benzylpiperazine-1-carbodithioate has 1 hydrogen bond donor(s) and 5 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 4-benzylpiperazine-1-carbodithioate?
The CAS number of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate is 577984-96-4.
What is the molecular formula of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate?
The molecular formula of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate is C27H26ClN3O2S2.
What is the molecular weight of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate?
The molecular weight of 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate is 523.12 g/mol.
Where can I buy 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate?
You can request a quote for 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-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 4-benzylpiperazine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-chloro-2-(phenylcarbonyl)phenyl]amino}-2-oxoethyl 4-benzylpiperazine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.