1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one
TL;DR: 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one (CAS 221284-06-6) is a chemical compound with molecular formula C30H34F3N3O6 and molecular weight 589.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[2-[4-(1-acetylpiperidin-4-yl)oxy-2-(2,2,2-trifluoroethoxy)phenyl]acetyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Also Known As: 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one, 2H-3,1-Benzoxazin-2-one, 1-(1-(2-(4-((1-acetyl-4-piperidinyl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)-4-piperidinyl)-1,4-dihydro-, Piperidine, 1-acetyl-4-(4-(2-oxo-2-(4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-1-piperidinyl)ethyl)-3-(2,2,2-trifluoroethoxy)phenoxy)-, 1-(1-(4-(1-acetyl-4-piperidinyloxy)-2-(2,2,2-trifluoroethoxy)-phenyl-acetyl)piperidin-4-yl)-4H-3,1-benzoxazin-2(1H)-one, 1-(1-{2-[4-(1-Acetyl-piperidin-4-yloxy)-2-(2,2,2-trifluoro-ethoxy)-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
| Molecular Formula | C30H34F3N3O6 |
|---|---|
| Molecular Weight | 589.24 g/mol |
| LogP | 4.7077 |
| Topological Polar Surface Area | 88.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 589.24 |
| Heavy Atoms | 42 |
| Complexity | 1303.4348 |
Chemical Identifiers
| CAS Number | 221284-06-6 |
|---|---|
| SMILES | CC(=O)N1CCC(CC1)OC2=CC(=C(C=C2)CC(=O)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)OCC(F)(F)F |
Product Overview
1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one (CAS 221284-06-6), with molecular formula C30H34F3N3O6 and molecular weight 589.24 g/mol. IUPAC: 1-[1-[2-[4-(1-acetylpiperidin-4-yl)oxy-2-(2,2,2-trifluoroethoxy)phenyl]acetyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one.
Chemical Property Profile of 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one
Property Insights of 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one
The XLogP value of 4.7077 indicates that 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one. Following Lipinski's Rule of Five, 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one?
The CAS number of 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one is 221284-06-6.
What is the molecular formula of 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one?
The molecular formula of 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one is C30H34F3N3O6.
What is the molecular weight of 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one?
The molecular weight of 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one is 589.24 g/mol.
Where can I buy 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one?
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Does KEHONG BIO offer custom synthesis for 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-(2-(4-((1-Acetylpiperidin-4-yl)oxy)-2-(2,2,2-trifluoroethoxy)phenyl)acetyl)piperidin-4-yl)-2,4-dihydro-1H-3,1-benzoxazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.