![[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile structure](/static/products/100/1009232-25-0.png)
[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile
TL;DR: [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile (CAS 1009232-25-0) is a chemical compound with molecular formula C17H21FN2O and molecular weight 288.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile
Also Known As: 2-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile, [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile, 2-(1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetonitrile
| Molecular Formula | C17H21FN2O |
|---|---|
| Molecular Weight | 288.16 g/mol |
| LogP | 3.01738 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.1638 |
| Heavy Atoms | 21 |
| Complexity | 538.71625 |
Chemical Identifiers
| CAS Number | 1009232-25-0 |
|---|---|
| SMILES | C1CCC2(CCN(C(C2C1)C3=CC=C(C=C3)F)CC#N)O |
Product Overview
[1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile (CAS 1009232-25-0), with molecular formula C17H21FN2O and molecular weight 288.16 g/mol. IUPAC: 2-[1-(4-fluorophenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile.
Chemical Property Profile of [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile
Property Insights of [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile
The XLogP value of 3.01738 indicates that [1-(4-fluorophenyl)-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 47.26 Ų, [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile has 1 hydrogen bond donor(s) and 3 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-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
The CAS number of [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile is 1009232-25-0.
What is the molecular formula of [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
The molecular formula of [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile is C17H21FN2O.
What is the molecular weight of [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
The molecular weight of [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile is 288.16 g/mol.
Where can I buy [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
You can request a quote for [1-(4-fluorophenyl)-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-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(4-fluorophenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.