![Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]- structure](/static/products/5453/545364-71-4.webp)
Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-
TL;DR: Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]- (CAS 545364-71-4) is a chemical compound with molecular formula C21H18Cl3N3O2 and molecular weight 449.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
Also Known As: Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-, [4-(4-chlorophenyl)piperazin-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone, Cyclopentaneacetic acid,1-ethynyl-2,3-dihydroxy-,ethyl ester,(1S)-(9CI), 1-(4-chlorophenyl)-4-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}piperazine, 3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl 4-(4-chlorophenyl)piperazinyl ket one
| Molecular Formula | C21H18Cl3N3O2 |
|---|---|
| Molecular Weight | 449.05 g/mol |
| LogP | 5.57262 |
| Topological Polar Surface Area | 49.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.04645 |
| Heavy Atoms | 29 |
| Complexity | 1021.57495 |
Chemical Identifiers
| CAS Number | 545364-71-4 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl |
Product Overview
Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]- (CAS 545364-71-4), with molecular formula C21H18Cl3N3O2 and molecular weight 449.05 g/mol. IUPAC: [4-(4-chlorophenyl)piperazin-1-yl]-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.
Chemical Property Profile of Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-
Property Insights of Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-
The XLogP value of 5.57262 indicates that Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.58 Ų, Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-?
The CAS number of Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]- is 545364-71-4.
What is the molecular formula of Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-?
The molecular formula of Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]- is C21H18Cl3N3O2.
What is the molecular weight of Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-?
The molecular weight of Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]- is 449.05 g/mol.
Where can I buy Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-?
You can request a quote for Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]-?
Yes, KEHONG BIO provides custom synthesis services for Methanone, [4-(4-chlorophenyl)-1-piperazinyl][3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.