Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro-
TL;DR: Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro- (CAS 5536-41-4) is a chemical compound with molecular formula C17H24FNO and molecular weight 277.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
Also Known As: R-4457, Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro-, 1-Butanone, 4-(4,4-dimethyl-1-piperidinyl)-1-(4-fluorophenyl)-, 4'-FLUORO-4-(4,4-DIMETHYLPIPERIDINO)BUTYROPHENONE HYDROCHLORIDE, 4-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
| Molecular Formula | C17H24FNO |
|---|---|
| Molecular Weight | 277.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.1842 |
| Heavy Atoms | 20 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 5536-41-4 |
|---|---|
| SMILES | CC1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C |
| InChIKey | GPJQPJAYHQOIJJ-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro- (CAS 5536-41-4), with molecular formula C17H24FNO and molecular weight 277.18 g/mol. IUPAC: 4-(4,4-dimethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one.
Chemical Property Profile of Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro-
Property Insights of Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro-
The XLogP value of 3.7 indicates that Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro- 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-(4,4-dimethylpiperidino)-4'-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro- 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-(4,4-dimethylpiperidino)-4'-fluoro-?
The CAS number of Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro- is 5536-41-4.
What is the molecular formula of Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro-?
The molecular formula of Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro- is C17H24FNO.
What is the molecular weight of Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro-?
The molecular weight of Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro- is 277.18 g/mol.
Where can I buy Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro-?
You can request a quote for Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4-(4,4-dimethylpiperidino)-4'-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.