![{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone structure](/static/products/1008/1008000-80-3.webp)
{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone
TL;DR: {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone (CAS 1008000-80-3) is a chemical compound with molecular formula C26H33FN2O2 and molecular weight 424.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-fluorophenyl)methanone
Also Known As: {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone, (1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(3-fluorophenyl)methanone, [1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-fluorophenyl)methanone
| Molecular Formula | C26H33FN2O2 |
|---|---|
| Molecular Weight | 424.25 g/mol |
| LogP | 5.1804 |
| Topological Polar Surface Area | 43.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.2526 |
| Heavy Atoms | 31 |
| Complexity | 911.8779 |
Chemical Identifiers
| CAS Number | 1008000-80-3 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2C3CCCCC3(CCN2C(=O)C4=CC(=CC=C4)F)O |
Product Overview
{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone (CAS 1008000-80-3), with molecular formula C26H33FN2O2 and molecular weight 424.25 g/mol. IUPAC: [1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-fluorophenyl)methanone.
Chemical Property Profile of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone
Property Insights of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone
The XLogP value of 5.1804 indicates that {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.78 Ų, {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone has 1 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 {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone?
The CAS number of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone is 1008000-80-3.
What is the molecular formula of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone?
The molecular formula of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone is C26H33FN2O2.
What is the molecular weight of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone?
The molecular weight of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone is 424.25 g/mol.
Where can I buy {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone?
You can request a quote for {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}(3-fluorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.