![1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one structure](/static/products/4332/433262-03-4.webp)
1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one
TL;DR: 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one (CAS 433262-03-4) is a chemical compound with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-nitrobenzenecarbothioyl)piperazin-1-yl]ethanone
Also Known As: 1-acetyl-4-(3-nitrobenzothioyl)piperazine, 1-[4-(3-nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one, 1-(4-(3-nitrophenylcarbonothioyl)piperazin-1-yl)ethanone, 1-[4-(3-nitrobenzenecarbothioyl)piperazin-1-yl]ethanone, 1-acetyl-4-[(3-nitrophenyl)carbonothioyl]piperazine
| Molecular Formula | C13H15N3O3S |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 1.4344 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.0834 |
| Heavy Atoms | 20 |
| Complexity | 553.5473 |
Chemical Identifiers
| CAS Number | 433262-03-4 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C(=S)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one (CAS 433262-03-4), with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol. IUPAC: 1-[4-(3-nitrobenzenecarbothioyl)piperazin-1-yl]ethanone.
Chemical Property Profile of 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one
Property Insights of 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one
The XLogP value of 1.4344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one. Following Lipinski's Rule of Five, 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one has 0 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 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one?
The CAS number of 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one is 433262-03-4.
What is the molecular formula of 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one?
The molecular formula of 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one is C13H15N3O3S.
What is the molecular weight of 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one?
The molecular weight of 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one is 293.08 g/mol.
Where can I buy 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one?
You can request a quote for 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(3-Nitrobenzenecarbothioyl)piperazin-1-yl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.