Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)-
TL;DR: Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)- (CAS 64-61-9) is a chemical compound with molecular formula C20H28FNO and molecular weight 317.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(3-methyl-8-azaspiro[4.5]decan-8-yl)butan-1-one
Also Known As: KST-1B7116, 4'-Fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)butyrophenone, BUTYROPHENONE, 4'-FLUORO-4-(2-METHYL-8-AZASPIRO(4.5)DEC-8-YL)-, 1-(4-fluorophenyl)-4-(2-methyl-8-azaspiro[4.5]dec-8-yl)butan-1-one, 1-(4-Fluorophenyl)-4-(2-methyl-8-azaspiro[4.5]decan-8-yl)butan-1-one
| Molecular Formula | C20H28FNO |
|---|---|
| Molecular Weight | 317.22 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.21548 |
| Heavy Atoms | 23 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 64-61-9 |
|---|---|
| SMILES | CC1CCC2(C1)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F |
| InChIKey | KZGVFLXTABUVAM-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)- (CAS 64-61-9), with molecular formula C20H28FNO and molecular weight 317.22 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(3-methyl-8-azaspiro[4.5]decan-8-yl)butan-1-one.
Chemical Property Profile of Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)-
Property Insights of Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)-
The XLogP value of 4.8 indicates that Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-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-(2-methyl-8-azaspiro(4.5)dec-8-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)- has 0 hydrogen bond donor(s) and 3 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 Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)-?
The CAS number of Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)- is 64-61-9.
What is the molecular formula of Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)-?
The molecular formula of Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)- is C20H28FNO.
What is the molecular weight of Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)-?
The molecular weight of Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)- is 317.22 g/mol.
Where can I buy Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)-?
You can request a quote for Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-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-(2-methyl-8-azaspiro(4.5)dec-8-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.