4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone
TL;DR: 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone (CAS 64-59-5) is a chemical compound with molecular formula C21H31ClFNO and molecular weight 367.20782 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluorophenyl)-4-(9-methyl-3-azoniaspiro[5.5]undecan-3-yl)butan-1-one chloride
Also Known As: 5-20-04-00449 (Beilstein Handbook Reference), 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone, BUTYROPHENONE, 4'-FLUORO-4-(9-METHYL-3-AZASPIRO(5.5)UNDEC-3-YL)-, 3-[4-(4-fluorophenyl)-4-oxobutyl]-9-methyl-3-azoniaspiro[5.5]undecane chloride, 1-Butanone,1-(4-fluorophenyl)-4-(9-methyl-3-azaspiro[5.5]undec-3-yl)-
Technical Specifications
| Molecular Formula | C21H31ClFNO |
| Molecular Weight | 367.20782 g/mol |
| XLogP | 0.67 |
| Topological Polar Surface Area (TPSA) | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.20782 Da |
| Heavy Atoms | 25 |
| Complexity | 398.0 |
| SMILES | CC1CCC2(CC1)CC[NH+](CC2)CCCC(=O)C3=CC=C(C=C3)F.[Cl-] |
| InChIKey | ADPMIFYDMCNJNN-UHFFFAOYSA-N |
Product Description
Applications: 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone (CAS 64-59-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone (CAS 64-59-5) is a fine chemical with the molecular formula C21H31ClFNO and a molecular weight of 367.21 g/mol. It is also known as 5-20-04-00449 (Beilstein Handbook Reference) and 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone
Property Insights of 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone
The XLogP value of 0.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone. With a topological polar surface area (TPSA) of 21.5 Ų, 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone?
The CAS number of 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone is 64-59-5.
What is the molecular formula of 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone?
The molecular formula of 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone is C21H31ClFNO.
What is the molecular weight of 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone?
The molecular weight of 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone is 367.20782 g/mol.
What are the applications of 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone?
4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone (CAS 64-59-5) with custom...
Where can I buy 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone?
You can request a quote for 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone?
Yes, CoreyChem provides custom synthesis services for 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.