![N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide structure](/static/products/4284/428484-77-9.webp)
N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide
TL;DR: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide (CAS 428484-77-9) is a chemical compound with molecular formula C18H16ClFN4O3S and molecular weight 422.06 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-fluorobenzamide
Also Known As: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide, N-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]carbonothioyl}-3-fluorobenzamide, N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-fluoro-benzamide
| Molecular Formula | C18H16ClFN4O3S |
|---|---|
| Molecular Weight | 422.06 g/mol |
| LogP | 3.2242 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.06155 |
| Heavy Atoms | 28 |
| Complexity | 934.79675 |
Chemical Identifiers
| CAS Number | 428484-77-9 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)C3=CC(=CC=C3)F |
Product Overview
N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide (CAS 428484-77-9), with molecular formula C18H16ClFN4O3S and molecular weight 422.06 g/mol. IUPAC: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide.
Chemical Property Profile of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide
Property Insights of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide
The XLogP value of 3.2242 indicates that N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide 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-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide. Following Lipinski's Rule of Five, N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide 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-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide?
The CAS number of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide is 428484-77-9.
What is the molecular formula of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide?
The molecular formula of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide is C18H16ClFN4O3S.
What is the molecular weight of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide?
The molecular weight of N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide is 422.06 g/mol.
Where can I buy N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide?
You can request a quote for N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide 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-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.