![4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide structure](/static/products/4284/428473-08-9.webp)
4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
TL;DR: 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide (CAS 428473-08-9) is a chemical compound with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
Also Known As: 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide, 4-methoxy-N-{[4-(4-nitrophenyl)-1-piperazinyl]carbonothioyl}benzamide, 4-methoxy-N-{[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}benzamide, 4-methoxy-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide, 4-methoxy-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide
| Molecular Formula | C19H20N4O4S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 2.4403 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.1205 |
| Heavy Atoms | 28 |
| Complexity | 862.50726 |
Chemical Identifiers
| CAS Number | 428473-08-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide (CAS 428473-08-9), with molecular formula C19H20N4O4S and molecular weight 400.12 g/mol. IUPAC: 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide.
Chemical Property Profile of 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
Property Insights of 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide
The XLogP value of 2.4403 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide. Following Lipinski's Rule of Five, 4-methoxy-N-[4-(4-nitrophenyl)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-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide?
The CAS number of 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide is 428473-08-9.
What is the molecular formula of 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide?
The molecular formula of 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide is C19H20N4O4S.
What is the molecular weight of 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide?
The molecular weight of 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide is 400.12 g/mol.
Where can I buy 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide?
You can request a quote for 4-methoxy-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 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.