![4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide structure](/static/products/3473/347356-00-7.webp)
4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide
TL;DR: 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide (CAS 347356-00-7) is a chemical compound with molecular formula C21H18ClN5O3S and molecular weight 455.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide
Also Known As: 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide, A2546/0108385, 4-chloro-N-{[4-(5-nitroquinolin-8-yl)piperazin-1-yl]carbonothioyl}benzamide, 4-chloro-N-[(4-{5-nitro-8-quinolinyl}-1-piperazinyl)carbothioyl]benzamide, (4-chlorophenyl)-N-{[4-(5-nitro(8-quinolyl))piperazinyl]thioxomethyl}carboxami de
| Molecular Formula | C21H18ClN5O3S |
|---|---|
| Molecular Weight | 455.08 g/mol |
| LogP | 3.6333 |
| Topological Polar Surface Area | 91.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.08188 |
| Heavy Atoms | 31 |
| Complexity | 1163.3939 |
Chemical Identifiers
| CAS Number | 347356-00-7 |
|---|---|
| SMILES | C1CN(CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3)C(=S)NC(=O)C4=CC=C(C=C4)Cl |
Product Overview
4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide (CAS 347356-00-7), with molecular formula C21H18ClN5O3S and molecular weight 455.08 g/mol. IUPAC: 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide.
Chemical Property Profile of 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide
Property Insights of 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide
The XLogP value of 3.6333 indicates that 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide. Following Lipinski's Rule of Five, 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide has 1 hydrogen bond donor(s) and 6 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-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide?
The CAS number of 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide is 347356-00-7.
What is the molecular formula of 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide?
The molecular formula of 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide is C21H18ClN5O3S.
What is the molecular weight of 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide?
The molecular weight of 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide is 455.08 g/mol.
Where can I buy 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide?
You can request a quote for 4-chloro-N-[4-(5-nitroquinolin-8-yl)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 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[4-(5-nitroquinolin-8-yl)piperazine-1-carbothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.