![(2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one structure](/static/products/102/1025251-07-3.png)
(2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
TL;DR: (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one (CAS 1025251-07-3) is a chemical compound with molecular formula C26H29NO5 and molecular weight 435.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
Also Known As: (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one, (E)-1-[4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one
| Molecular Formula | C26H29NO5 |
|---|---|
| Molecular Weight | 435.20 g/mol |
| LogP | 4.332 |
| Topological Polar Surface Area | 68.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.20456 |
| Heavy Atoms | 32 |
| Complexity | 1017.3773 |
Chemical Identifiers
| CAS Number | 1025251-07-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3CCCCC3(CCN2C(=O)/C=C/C4=CC5=C(C=C4)OCO5)O |
Product Overview
(2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one (CAS 1025251-07-3), with molecular formula C26H29NO5 and molecular weight 435.20 g/mol. IUPAC: (E)-1-[4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-(1,3-benzodioxol-5-yl)prop-2-en-1-one.
Chemical Property Profile of (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Property Insights of (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
The XLogP value of 4.332 indicates that (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one. Following Lipinski's Rule of Five, (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one has 1 hydrogen bond donor(s) and 5 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-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one?
The CAS number of (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one is 1025251-07-3.
What is the molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one?
The molecular formula of (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one is C26H29NO5.
What is the molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one?
The molecular weight of (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one is 435.20 g/mol.
Where can I buy (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one?
You can request a quote for (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-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-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.