![(2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one structure](/static/products/100/1009272-72-3.png)
(2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
TL;DR: (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one (CAS 1009272-72-3) is a chemical compound with molecular formula C25H26FNO4 and molecular weight 423.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]prop-2-en-1-one
Also Known As: (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one, (E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]prop-2-en-1-one, (E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)prop-2-en-1-one
| Molecular Formula | C25H26FNO4 |
|---|---|
| Molecular Weight | 423.18 g/mol |
| LogP | 4.4625 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.1846 |
| Heavy Atoms | 31 |
| Complexity | 1005.0816 |
Chemical Identifiers
| CAS Number | 1009272-72-3 |
|---|---|
| SMILES | C1CCC2(CCN(C(C2C1)C3=CC=C(C=C3)F)C(=O)/C=C/C4=CC5=C(C=C4)OCO5)O |
Product Overview
(2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one (CAS 1009272-72-3), with molecular formula C25H26FNO4 and molecular weight 423.18 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]prop-2-en-1-one.
Chemical Property Profile of (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Property Insights of (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
The XLogP value of 4.4625 indicates that (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one 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 (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one?
The CAS number of (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one is 1009272-72-3.
What is the molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one?
The molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one is C25H26FNO4.
What is the molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one?
The molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one is 423.18 g/mol.
Where can I buy (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one?
You can request a quote for (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(1,3-benzodioxol-5-yl)-1-[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.