4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone
TL;DR: 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone (CAS 64-56-2) is a chemical compound with molecular formula C21H30FNO and molecular weight 331.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(10-methyl-3-azaspiro[5.5]undecan-3-yl)butan-1-one
Also Known As: KST-1B7111, 5-20-04-00449 (Beilstein Handbook Reference), 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone, 1-(4-fluorophenyl)-4-(8-methyl-3-azaspiro[5.5]undec-3-yl)butan-1-one, BUTYROPHENONE, 4'-FLUORO-4-(8-METHYL-3-AZASPIRO(5.5)UNDEC-3-YL)-
| Molecular Formula | C21H30FNO |
|---|---|
| Molecular Weight | 331.23 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.23114 |
| Heavy Atoms | 24 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 64-56-2 |
|---|---|
| SMILES | CC1CCCC2(C1)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F |
| InChIKey | PIEMMNUFGLNISQ-UHFFFAOYSA-N |
Product Overview
4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone (CAS 64-56-2), with molecular formula C21H30FNO and molecular weight 331.23 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(10-methyl-3-azaspiro[5.5]undecan-3-yl)butan-1-one.
Chemical Property Profile of 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone
Property Insights of 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone
The XLogP value of 5.4 indicates that 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 4'-Fluoro-4-(8-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-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone 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'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone?
The CAS number of 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone is 64-56-2.
What is the molecular formula of 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone?
The molecular formula of 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone is C21H30FNO.
What is the molecular weight of 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone?
The molecular weight of 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone is 331.23 g/mol.
Where can I buy 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone?
You can request a quote for 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.