Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)-
TL;DR: Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)- (CAS 156171-16-3) is a chemical compound with molecular formula C18H24FNOS and molecular weight 321.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)-, J2.049.422K, (1R-trans)-1-(4-Fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)ethanone, (9abeta)-1alpha-(4-Fluorophenacylthiomethyl)octahydro-2H-quinolizine, 1-(4-Fluorophenyl)-2-({[(1R,9aR)-octahydro-2H-quinolizin-1-yl]methyl}sulfanyl)ethan-1-one
| Molecular Formula | C18H24FNOS |
|---|---|
| Molecular Weight | 321.16 g/mol |
| LogP | 4.0061 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.15625 |
| Heavy Atoms | 22 |
| Complexity | 502.31354 |
Chemical Identifiers
| CAS Number | 156171-16-3 |
|---|---|
| SMILES | C1CCN2CCC[C@H]([C@H]2C1)CSCC(=O)C3=CC=C(C=C3)F |
Product Overview
Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)- (CAS 156171-16-3), with molecular formula C18H24FNOS and molecular weight 321.16 g/mol. IUPAC: 2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)-
Property Insights of Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)-
The XLogP value of 4.0061 indicates that Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)- 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 Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)-?
The CAS number of Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)- is 156171-16-3.
What is the molecular formula of Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)-?
The molecular formula of Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)- is C18H24FNOS.
What is the molecular weight of Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)-?
The molecular weight of Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)- is 321.16 g/mol.
Where can I buy Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)-?
You can request a quote for Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-fluorophenyl)-2-(((octahydro-2H-quinolizin-1-yl)methyl)thio)-, (1R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.