![4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide structure](/static/products/7082/708238-34-0.webp)
4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide
TL;DR: 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 708238-34-0) is a chemical compound with molecular formula C18H18Cl2N4O2S and molecular weight 424.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide
Also Known As: 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide, 4-(3,4-dichlorobenzyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide, {4-[(3,4-dichlorophenyl)methyl]piperazinyl}[(4-nitrophenyl)amino]methane-1-thi one
| Molecular Formula | C18H18Cl2N4O2S |
|---|---|
| Molecular Weight | 424.05 g/mol |
| LogP | 4.4162 |
| Topological Polar Surface Area | 61.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.05276 |
| Heavy Atoms | 27 |
| Complexity | 839.7553 |
Chemical Identifiers
| CAS Number | 708238-34-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC(=C(C=C2)Cl)Cl)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide (CAS 708238-34-0), with molecular formula C18H18Cl2N4O2S and molecular weight 424.05 g/mol. IUPAC: 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide.
Chemical Property Profile of 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide
Property Insights of 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide
The XLogP value of 4.4162 indicates that 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide. Following Lipinski's Rule of Five, 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide 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 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide?
The CAS number of 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide is 708238-34-0.
What is the molecular formula of 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular formula of 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide is C18H18Cl2N4O2S.
What is the molecular weight of 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide?
The molecular weight of 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide is 424.05 g/mol.
Where can I buy 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide?
You can request a quote for 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)piperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.