![2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide structure](/static/products/4256/425656-48-0.webp)
2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide
TL;DR: 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide (CAS 425656-48-0) is a chemical compound with molecular formula C18H16Cl2N4O3S and molecular weight 438.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide
Also Known As: 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide, 2-chloro-N-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]carbonothioyl}benzamide, 2-chloro-N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide
| Molecular Formula | C18H16Cl2N4O3S |
|---|---|
| Molecular Weight | 438.03 g/mol |
| LogP | 3.7385 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.032 |
| Heavy Atoms | 28 |
| Complexity | 932.79675 |
Chemical Identifiers
| CAS Number | 425656-48-0 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CC=C3Cl |
Product Overview
2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide (CAS 425656-48-0), with molecular formula C18H16Cl2N4O3S and molecular weight 438.03 g/mol. IUPAC: 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide.
Chemical Property Profile of 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide
Property Insights of 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide
The XLogP value of 3.7385 indicates that 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide. Following Lipinski's Rule of Five, 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide has 1 hydrogen bond donor(s) and 5 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-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide?
The CAS number of 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide is 425656-48-0.
What is the molecular formula of 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide?
The molecular formula of 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide is C18H16Cl2N4O3S.
What is the molecular weight of 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide?
The molecular weight of 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide is 438.03 g/mol.
Where can I buy 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide?
You can request a quote for 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.