![3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide structure](/static/products/4284/428489-44-5.webp)
3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
TL;DR: 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide (CAS 428489-44-5) is a chemical compound with molecular formula C18H17ClN4O3S and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
Also Known As: 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide, 3-chloro-N-{[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}benzamide
| Molecular Formula | C18H17ClN4O3S |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 3.0851 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.07098 |
| Heavy Atoms | 27 |
| Complexity | 867.1654 |
Chemical Identifiers
| CAS Number | 428489-44-5 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC(=O)C3=CC(=CC=C3)Cl |
Product Overview
3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide (CAS 428489-44-5), with molecular formula C18H17ClN4O3S and molecular weight 404.07 g/mol. IUPAC: 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide.
Chemical Property Profile of 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
Property Insights of 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
The XLogP value of 3.0851 indicates that 3-chloro-N-[4-(4-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 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide. Following Lipinski's Rule of Five, 3-chloro-N-[4-(4-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 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide?
The CAS number of 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide is 428489-44-5.
What is the molecular formula of 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide?
The molecular formula of 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide is C18H17ClN4O3S.
What is the molecular weight of 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide?
The molecular weight of 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide is 404.07 g/mol.
Where can I buy 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide?
You can request a quote for 3-chloro-N-[4-(4-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 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.