![{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile structure](/static/products/100/1008059-88-8.png)
{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile
TL;DR: {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile (CAS 1008059-88-8) is a chemical compound with molecular formula C21H31N3O and molecular weight 341.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile
Also Known As: {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile, 2-(1-(4-(diethylamino)phenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetonitrile, 2-[1-(4-diethylaminophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile, 2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile
| Molecular Formula | C21H31N3O |
|---|---|
| Molecular Weight | 341.25 g/mol |
| LogP | 3.72448 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.2467 |
| Heavy Atoms | 25 |
| Complexity | 604.5623 |
Chemical Identifiers
| CAS Number | 1008059-88-8 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2C3CCCCC3(CCN2CC#N)O |
Product Overview
{1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile (CAS 1008059-88-8), with molecular formula C21H31N3O and molecular weight 341.25 g/mol. IUPAC: 2-[1-[4-(diethylamino)phenyl]-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile.
Chemical Property Profile of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile
Property Insights of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile
The XLogP value of 3.72448 indicates that {1-[4-(diethylamino)phenyl]-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 50.5 Ų, {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {1-[4-(diethylamino)phenyl]-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-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile?
The CAS number of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile is 1008059-88-8.
What is the molecular formula of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile?
The molecular formula of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile is C21H31N3O.
What is the molecular weight of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile?
The molecular weight of {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile is 341.25 g/mol.
Where can I buy {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile?
You can request a quote for {1-[4-(diethylamino)phenyl]-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-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for {1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.