![1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine structure](/static/products/3309/330950-64-6.webp)
1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
TL;DR: 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine (CAS 330950-64-6) is a chemical compound with molecular formula C18H13ClF5N3O3 and molecular weight 449.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4,5-difluorophenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Also Known As: (2-chloro-4,5-difluorophenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone, 1-(2-chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine, A2293/0096615, 2-chloro-4,5-difluorophenyl 4-[2-nitro-4-(trifluoromethyl)phenyl]piperazinyl k etone, (2-chloro-4,5-difluorophenyl)(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)methanone
| Molecular Formula | C18H13ClF5N3O3 |
|---|---|
| Molecular Weight | 449.06 g/mol |
| LogP | 4.5076 |
| Topological Polar Surface Area | 66.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.05655 |
| Heavy Atoms | 30 |
| Complexity | 1007.292 |
Chemical Identifiers
| CAS Number | 330950-64-6 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC(=C(C=C3Cl)F)F |
Product Overview
1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine (CAS 330950-64-6), with molecular formula C18H13ClF5N3O3 and molecular weight 449.06 g/mol. IUPAC: (2-chloro-4,5-difluorophenyl)-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
Chemical Property Profile of 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Property Insights of 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
The XLogP value of 4.5076 indicates that 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine. Following Lipinski's Rule of Five, 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine has 0 hydrogen bond donor(s) and 4 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 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
The CAS number of 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine is 330950-64-6.
What is the molecular formula of 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
The molecular formula of 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine is C18H13ClF5N3O3.
What is the molecular weight of 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
The molecular weight of 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine is 449.06 g/mol.
Where can I buy 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
You can request a quote for 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-4,5-difluorobenzoyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.