(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone
TL;DR: (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone (CAS 1008395-46-7) is a chemical compound with molecular formula C23H26FNO3 and molecular weight 383.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-methoxyphenyl)methanone
Also Known As: (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone, [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](2-methoxyphenyl)methanone, [1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-methoxyphenyl)methanone
| Molecular Formula | C23H26FNO3 |
|---|---|
| Molecular Weight | 383.19 g/mol |
| LogP | 4.3428 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.18967 |
| Heavy Atoms | 28 |
| Complexity | 853.18085 |
Chemical Identifiers
| CAS Number | 1008395-46-7 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)N2CCC3(CCCCC3C2C4=CC=C(C=C4)F)O |
Product Overview
(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone (CAS 1008395-46-7), with molecular formula C23H26FNO3 and molecular weight 383.19 g/mol. IUPAC: [1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-methoxyphenyl)methanone.
Chemical Property Profile of (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone
Property Insights of (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone
The XLogP value of 4.3428 indicates that (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.77 Ų, (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone has 1 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 (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone?
The CAS number of (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone is 1008395-46-7.
What is the molecular formula of (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone?
The molecular formula of (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone is C23H26FNO3.
What is the molecular weight of (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone?
The molecular weight of (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone is 383.19 g/mol.
Where can I buy (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone?
You can request a quote for (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)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-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(2-methoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.