![[1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile structure](/static/products/100/1008664-94-5.png)
[1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile
TL;DR: [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile (CAS 1008664-94-5) is a chemical compound with molecular formula C19H26N2O2 and molecular weight 314.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile
Also Known As: 2-[1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile, [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile, 2-(1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetonitrile
| Molecular Formula | C19H26N2O2 |
|---|---|
| Molecular Weight | 314.20 g/mol |
| LogP | 3.27698 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.19943 |
| Heavy Atoms | 23 |
| Complexity | 582.9775 |
Chemical Identifiers
| CAS Number | 1008664-94-5 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C3CCCCC3(CCN2CC#N)O |
Product Overview
[1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile (CAS 1008664-94-5), with molecular formula C19H26N2O2 and molecular weight 314.20 g/mol. IUPAC: 2-[1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile.
Chemical Property Profile of [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile
Property Insights of [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile
The XLogP value of 3.27698 indicates that [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile 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-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
The CAS number of [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile is 1008664-94-5.
What is the molecular formula of [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
The molecular formula of [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile is C19H26N2O2.
What is the molecular weight of [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
The molecular weight of [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile is 314.20 g/mol.
Where can I buy [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
You can request a quote for [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(2-ethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.