![N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide structure](/static/products/4284/428475-16-5.webp)
N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide
TL;DR: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide (CAS 428475-16-5) is a chemical compound with molecular formula C20H21ClN4O5S and molecular weight 464.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide
Also Known As: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide, N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}-3,5-dimethoxybenzamide, N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3,5-dimethoxy-benzamide
| Molecular Formula | C20H21ClN4O5S |
|---|---|
| Molecular Weight | 464.09 g/mol |
| LogP | 3.1023 |
| Topological Polar Surface Area | 97.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.09213 |
| Heavy Atoms | 31 |
| Complexity | 988.8099 |
Chemical Identifiers
| CAS Number | 428475-16-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OC |
Product Overview
N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide (CAS 428475-16-5), with molecular formula C20H21ClN4O5S and molecular weight 464.09 g/mol. IUPAC: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide.
Chemical Property Profile of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide
Property Insights of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide
The XLogP value of 3.1023 indicates that N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.18 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide. Following Lipinski's Rule of Five, N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide has 1 hydrogen bond donor(s) and 7 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-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide?
The CAS number of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide is 428475-16-5.
What is the molecular formula of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide?
The molecular formula of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide is C20H21ClN4O5S.
What is the molecular weight of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide?
The molecular weight of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide is 464.09 g/mol.
Where can I buy N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide?
You can request a quote for N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,5-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.