![N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide structure](/static/products/4262/426228-16-2.webp)
N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide
TL;DR: N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide (CAS 426228-16-2) is a chemical compound with molecular formula C20H21ClN4O4S and molecular weight 448.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide
Also Known As: N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide, N-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]carbonothioyl}-4-ethoxybenzamide, N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]-4-ethoxy-benzamide
| Molecular Formula | C20H21ClN4O4S |
|---|---|
| Molecular Weight | 448.10 g/mol |
| LogP | 3.4838 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.0972 |
| Heavy Atoms | 30 |
| Complexity | 946.3227 |
Chemical Identifiers
| CAS Number | 426228-16-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide (CAS 426228-16-2), with molecular formula C20H21ClN4O4S and molecular weight 448.10 g/mol. IUPAC: N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide.
Chemical Property Profile of N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide
Property Insights of N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide
The XLogP value of 3.4838 indicates that N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide. Following Lipinski's Rule of Five, N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide 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 N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide?
The CAS number of N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide is 426228-16-2.
What is the molecular formula of N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide?
The molecular formula of N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide is C20H21ClN4O4S.
What is the molecular weight of N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide?
The molecular weight of N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide is 448.10 g/mol.
Where can I buy N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide?
You can request a quote for N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide 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-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.