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Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)-
TL;DR: Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)- (CAS 1003281-89-7) is a chemical compound with molecular formula C21H19ClFN3O2 and molecular weight 399.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
Also Known As: Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)-, Methanone,[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)-, [3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl](4-phenyl-1 -piperazinyl)methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone, [3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)-methanone
| Molecular Formula | C21H19ClFN3O2 |
|---|---|
| Molecular Weight | 399.12 g/mol |
| LogP | 4.40492 |
| Topological Polar Surface Area | 49.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.115 |
| Heavy Atoms | 28 |
| Complexity | 977.8902 |
Chemical Identifiers
| CAS Number | 1003281-89-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)- (CAS 1003281-89-7), with molecular formula C21H19ClFN3O2 and molecular weight 399.12 g/mol. IUPAC: [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.
Chemical Property Profile of Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)-
Property Insights of Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)-
The XLogP value of 4.40492 indicates that Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)- 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, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)- 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 Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)-?
The CAS number of Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)- is 1003281-89-7.
What is the molecular formula of Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)-?
The molecular formula of Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)- is C21H19ClFN3O2.
What is the molecular weight of Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)-?
The molecular weight of Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)- is 399.12 g/mol.
Where can I buy Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)-?
You can request a quote for Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Methanone, [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl](4-phenyl-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.