![[1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile structure](/static/products/100/1008279-68-2.png)
[1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile
TL;DR: [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile (CAS 1008279-68-2) is a chemical compound with molecular formula C19H26N2O3 and molecular weight 330.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2,5-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile
Also Known As: 2-[1-(2,5-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile, [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile, 2-(1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl)acetonitrile
| Molecular Formula | C19H26N2O3 |
|---|---|
| Molecular Weight | 330.19 g/mol |
| LogP | 2.89548 |
| Topological Polar Surface Area | 65.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.19434 |
| Heavy Atoms | 24 |
| Complexity | 627.5282 |
Chemical Identifiers
| CAS Number | 1008279-68-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2C3CCCCC3(CCN2CC#N)O |
Product Overview
[1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile (CAS 1008279-68-2), with molecular formula C19H26N2O3 and molecular weight 330.19 g/mol. IUPAC: 2-[1-(2,5-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile.
Chemical Property Profile of [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile
Property Insights of [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile
The XLogP value of 2.89548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile. The TPSA of 65.72 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile. Following Lipinski's Rule of Five, [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile 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 [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
The CAS number of [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile is 1008279-68-2.
What is the molecular formula of [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
The molecular formula of [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile is C19H26N2O3.
What is the molecular weight of [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
The molecular weight of [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile is 330.19 g/mol.
Where can I buy [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
You can request a quote for [1-(2,5-dimethoxyphenyl)-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-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.