3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl
TL;DR: 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl (CAS 52868-05-0) is a chemical compound with molecular formula C24H27ClFN3O4 and molecular weight 475.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-oxazol-2-one;hydrochloride
Also Known As: 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl, 2(3H)-Oxazolone, 3-acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-,monohydrochloride, 3-acetyl-4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-oxazol-2-one hydrochloride, 3-Acetyl-4-(4-fluorophenyl)-5-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-1,3-oxazol-2(3H)-one--hydrogen chloride (1/1), RefChem:241684
| Molecular Formula | C24H27ClFN3O4 |
|---|---|
| Molecular Weight | 475.17 g/mol |
| LogP | 3.7026 |
| Topological Polar Surface Area | 67.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.16742 |
| Heavy Atoms | 33 |
| Complexity | 1151.2612 |
Chemical Identifiers
| CAS Number | 52868-05-0 |
|---|---|
| SMILES | CC(=O)N1C(=C(OC1=O)CCN2CCN(CC2)C3=CC=CC=C3OC)C4=CC=C(C=C4)F.Cl |
Product Overview
3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl (CAS 52868-05-0), with molecular formula C24H27ClFN3O4 and molecular weight 475.17 g/mol. IUPAC: 3-acetyl-4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-oxazol-2-one;hydrochloride.
Chemical Property Profile of 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl
Property Insights of 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl
The XLogP value of 3.7026 indicates that 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl. Following Lipinski's Rule of Five, 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl has 0 hydrogen bond donor(s) and 6 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 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl?
The CAS number of 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl is 52868-05-0.
What is the molecular formula of 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl?
The molecular formula of 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl is C24H27ClFN3O4.
What is the molecular weight of 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl?
The molecular weight of 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl is 475.17 g/mol.
Where can I buy 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl?
You can request a quote for 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-2(3H)-oxazolone HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.