![3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide structure](/static/products/4284/428498-69-5.webp)
3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide
TL;DR: 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide (CAS 428498-69-5) is a chemical compound with molecular formula C20H20Cl2N4O4S and molecular weight 482.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide
Also Known As: 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide, 3-chloro-N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}-4-ethoxybenzamide, 3-chloro-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-4-ethoxy-benzamide
| Molecular Formula | C20H20Cl2N4O4S |
|---|---|
| Molecular Weight | 482.06 g/mol |
| LogP | 4.1372 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.05823 |
| Heavy Atoms | 31 |
| Complexity | 1012.6695 |
Chemical Identifiers
| CAS Number | 428498-69-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl |
Product Overview
3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide (CAS 428498-69-5), with molecular formula C20H20Cl2N4O4S and molecular weight 482.06 g/mol. IUPAC: 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide.
Chemical Property Profile of 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide
Property Insights of 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide
The XLogP value of 4.1372 indicates that 3-chloro-N-[4-(2-chloro-4-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 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide. Following Lipinski's Rule of Five, 3-chloro-N-[4-(2-chloro-4-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 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide?
The CAS number of 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide is 428498-69-5.
What is the molecular formula of 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide?
The molecular formula of 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide is C20H20Cl2N4O4S.
What is the molecular weight of 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide?
The molecular weight of 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide is 482.06 g/mol.
Where can I buy 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide?
You can request a quote for 3-chloro-N-[4-(2-chloro-4-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 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.