Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride
TL;DR: Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride (CAS 98897-36-0) is a chemical compound with molecular formula C15H23Cl2FN2O and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)butan-1-one;dihydrochloride
Also Known As: TT-18-80, BUTYROPHENONE, 4'-FLUORO-4-(4-METHYL-1-PIPERAZINYL)-, DIHYDROCHLORIDE, BIM-0016143.P001, 1-(Fluorobenzoilopropylo)-4-metylo-piperazyna 2HCl, 1-(Fluorobenzoilopropylo)-4-metylo-piperazyna 2HCl [Polish]
| Molecular Formula | C15H23Cl2FN2O |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 2.88 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.11716 |
| Heavy Atoms | 21 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 98897-36-0 |
|---|---|
| SMILES | CN1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F.Cl.Cl |
| InChIKey | SPEZIFNNNLGZNA-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride (CAS 98897-36-0), with molecular formula C15H23Cl2FN2O and molecular weight 336.12 g/mol. IUPAC: 1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)butan-1-one;dihydrochloride.
Chemical Property Profile of Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride
Property Insights of Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride
The XLogP value of 2.88 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride. With a topological polar surface area (TPSA) of 23.6 Ų, Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride has 2 hydrogen bond donor(s) and 4 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-(4-methyl-1-piperazinyl)-, dihydrochloride?
The CAS number of Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride is 98897-36-0.
What is the molecular formula of Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride?
The molecular formula of Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride is C15H23Cl2FN2O.
What is the molecular weight of Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride?
The molecular weight of Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride is 336.12 g/mol.
Where can I buy Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride?
You can request a quote for Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride 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-(4-methyl-1-piperazinyl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4'-fluoro-4-(4-methyl-1-piperazinyl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.