methanone structure](/static/products/1008/1008936-47-7.webp)
[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone
TL;DR: [1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone (CAS 1008936-47-7) is a chemical compound with molecular formula C23H24FNO4 and molecular weight 397.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(1,3-benzodioxol-5-yl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-fluorophenyl)methanone
Also Known As: [1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone|(1-(benzo[d][1,3]dioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)(3-fluorophenyl)methanone|[1-(1,3-benzodioxol-5-yl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-fluorophenyl)methanone
| Molecular Formula | C23H24FNO4 |
|---|---|
| Molecular Weight | 397.17 g/mol |
| LogP | 4.0629 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.16895 |
| Heavy Atoms | 29 |
| Complexity | 948.2251 |
Chemical Identifiers
| CAS Number | 1008936-47-7 |
|---|---|
| SMILES | C1CCC2(CCN(C(C2C1)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC(=CC=C5)F)O |
Product Overview
[1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone (CAS 1008936-47-7), with molecular formula C23H24FNO4 and molecular weight 397.17 g/mol. IUPAC: [1-(1,3-benzodioxol-5-yl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3-fluorophenyl)methanone.
Chemical Property Profile of [1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone
Property Insights of [1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone
The XLogP value of 4.0629 indicates that [1-(1,3-benzodioxol-5-yl)-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 59.0 Ų, [1-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone has 1 hydrogen bond donor(s) and 4 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-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone?
The CAS number of [1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone is 1008936-47-7.
What is the molecular formula of [1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone?
The molecular formula of [1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone is C23H24FNO4.
What is the molecular weight of [1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone?
The molecular weight of [1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone is 397.17 g/mol.
Where can I buy [1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone?
You can request a quote for [1-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](3-fluorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.