(3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone
TL;DR: (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone (CAS 1009502-20-8) 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.
[4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-fluorophenyl)methanone
Also Known As: (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone, (3-fluorophenyl)[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]methanone, [4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-fluorophenyl)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 | 1009502-20-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3CCCCC3(CCN2C(=O)C4=CC(=CC=C4)F)O |
Product Overview
(3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone (CAS 1009502-20-8), with molecular formula C23H26FNO3 and molecular weight 383.19 g/mol. IUPAC: [4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-fluorophenyl)methanone.
Chemical Property Profile of (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone
Property Insights of (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 4.3428 indicates that (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)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, (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)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 (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone?
The CAS number of (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone is 1009502-20-8.
What is the molecular formula of (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone is C23H26FNO3.
What is the molecular weight of (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone is 383.19 g/mol.
Where can I buy (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-fluorophenyl)(4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.