Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)-
TL;DR: Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)- (CAS 21704-21-2) is a chemical compound with molecular formula C21H27F4NO and molecular weight 385.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]butan-1-one
Also Known As: 4'-Fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)butyrophenone, BUTYROPHENONE, 4'-FLUORO-4-(8-(TRIFLUOROMETHYL)-3-AZASPIRO(5.5)UNDEC-3-YL)-, 1-(4-Fluorophenyl)-4-[8-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]butan-1-one, 1-(4-fluorophenyl)-4-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]butan-1-one, 1-(4-fluorophenyl)-4-[4-(trifluoromethyl)-9-azaspiro[5.5]undecan-9-yl]butan-1-one
| Molecular Formula | C21H27F4NO |
|---|---|
| Molecular Weight | 385.20 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.20288 |
| Heavy Atoms | 27 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 21704-21-2 |
|---|---|
| SMILES | C1CC(CC2(C1)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(F)(F)F |
| InChIKey | CLRQXMRTTXJHLG-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)- (CAS 21704-21-2), with molecular formula C21H27F4NO and molecular weight 385.20 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]butan-1-one.
Chemical Property Profile of Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)-
Property Insights of Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)-
The XLogP value of 5.6 indicates that Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)- 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 Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)-?
The CAS number of Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)- is 21704-21-2.
What is the molecular formula of Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)-?
The molecular formula of Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)- is C21H27F4NO.
What is the molecular weight of Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)-?
The molecular weight of Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)- is 385.20 g/mol.
Where can I buy Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)-?
You can request a quote for Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4'-fluoro-4-(8-(trifluoromethyl)-3-azaspiro(5.5)undec-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.