![4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one structure](/static/products/958/958746-86-6.png)
4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
TL;DR: 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one (CAS 958746-86-6) is a chemical compound with molecular formula C26H30F4N2O3 and molecular weight 494.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
Also Known As: 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
| Molecular Formula | C26H30F4N2O3 |
|---|---|
| Molecular Weight | 494.22 g/mol |
| LogP | 5.1505 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.21927 |
| Heavy Atoms | 35 |
| Complexity | 1008.4017 |
Chemical Identifiers
| CAS Number | 958746-86-6 |
|---|---|
| SMILES | CC(C)CC(COCC1=CC=C(C=C1)F)N2CCN(CCC2=O)C(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one (CAS 958746-86-6), with molecular formula C26H30F4N2O3 and molecular weight 494.22 g/mol. IUPAC: 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one.
Chemical Property Profile of 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
Property Insights of 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
The XLogP value of 5.1505 indicates that 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one?
The CAS number of 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one is 958746-86-6.
What is the molecular formula of 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one?
The molecular formula of 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one is C26H30F4N2O3.
What is the molecular weight of 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one?
The molecular weight of 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one is 494.22 g/mol.
Where can I buy 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one?
You can request a quote for 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[1-[(4-fluorophenyl)methoxy]-4-methylpentan-2-yl]-1-[3-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.