(((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone
TL;DR: (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone (CAS 124673-98-9) is a chemical compound with molecular formula C23H26F3N3O3 and molecular weight 449.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[1-hydroxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one
Also Known As: (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone, 2(3H)-Benzoxazolone, 6-(1-hydroxy-4-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)butyl)-3-methyl-, 6-(1-Hydroxy-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-3-methyl-1,3-benzoxazol-2(3H)-one, 6-[1-hydroxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one, RefChem:241541
| Molecular Formula | C23H26F3N3O3 |
|---|---|
| Molecular Weight | 449.19 g/mol |
| LogP | 3.7861 |
| Topological Polar Surface Area | 61.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.19263 |
| Heavy Atoms | 32 |
| Complexity | 1130.6975 |
Chemical Identifiers
| CAS Number | 124673-98-9 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)C(CCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)O)OC1=O |
Product Overview
(((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone (CAS 124673-98-9), with molecular formula C23H26F3N3O3 and molecular weight 449.19 g/mol. IUPAC: 6-[1-hydroxy-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-3-methyl-1,3-benzoxazol-2-one.
Chemical Property Profile of (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone
Property Insights of (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone
The XLogP value of 3.7861 indicates that (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone. Following Lipinski's Rule of Five, (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone 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 (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone?
The CAS number of (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone is 124673-98-9.
What is the molecular formula of (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone?
The molecular formula of (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone is C23H26F3N3O3.
What is the molecular weight of (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone?
The molecular weight of (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone is 449.19 g/mol.
Where can I buy (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone?
You can request a quote for (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone?
Yes, KEHONG BIO provides custom synthesis services for (((Trifluoromethyl-3 phenyl)-4 piperazinyl-1)-4 hydroxy-1 butyl)-6 methyl-3 benzoxazolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.