1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one
TL;DR: 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one (CAS 1008239-51-7) is a chemical compound with molecular formula C19H26FNO2 and molecular weight 319.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]butan-1-one
Also Known As: 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one, 1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]butan-1-one, 1-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]butan-1-one
| Molecular Formula | C19H26FNO2 |
|---|---|
| Molecular Weight | 319.19 g/mol |
| LogP | 3.8205 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.19476 |
| Heavy Atoms | 23 |
| Complexity | 558.993 |
Chemical Identifiers
| CAS Number | 1008239-51-7 |
|---|---|
| SMILES | CCCC(=O)N1CCC2(CCCCC2C1C3=CC=C(C=C3)F)O |
Product Overview
1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one (CAS 1008239-51-7), with molecular formula C19H26FNO2 and molecular weight 319.19 g/mol. IUPAC: 1-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]butan-1-one.
Chemical Property Profile of 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one
Property Insights of 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one
The XLogP value of 3.8205 indicates that 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one has 1 hydrogen bond donor(s) and 2 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 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one?
The CAS number of 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one is 1008239-51-7.
What is the molecular formula of 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one?
The molecular formula of 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one is C19H26FNO2.
What is the molecular weight of 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one?
The molecular weight of 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one is 319.19 g/mol.
Where can I buy 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one?
You can request a quote for 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.