![N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide structure](/static/products/4262/426231-38-1.webp)
N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide
TL;DR: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide (CAS 426231-38-1) is a chemical compound with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide
Also Known As: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide, N-{[4-(4-nitrophenyl)piperazin-1-yl]carbonothioyl}-4-(propan-2-yl)benzamide, 4-ISOPROPYL-N-[4-(4-NITROPHENYL)PIPERAZINE-1-CARBOTHIOYL]BENZAMIDE
| Molecular Formula | C21H24N4O3S |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 3.5551 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.15692 |
| Heavy Atoms | 29 |
| Complexity | 889.14716 |
Chemical Identifiers
| CAS Number | 426231-38-1 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide (CAS 426231-38-1), with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol. IUPAC: N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide.
Chemical Property Profile of N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide
Property Insights of N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide
The XLogP value of 3.5551 indicates that N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide 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 N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide. Following Lipinski's Rule of Five, N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide 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 N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide?
The CAS number of N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide is 426231-38-1.
What is the molecular formula of N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide?
The molecular formula of N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide is C21H24N4O3S.
What is the molecular weight of N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide?
The molecular weight of N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide is 412.16 g/mol.
Where can I buy N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide?
You can request a quote for N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]-4-propan-2-ylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.