![[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile structure](/static/products/100/1007994-87-7.png)
[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile
TL;DR: [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile (CAS 1007994-87-7) is a chemical compound with molecular formula C18H24N2O2 and molecular weight 300.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile
Also Known As: 2-[4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile, [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile, 2-(4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl)acetonitrile
| Molecular Formula | C18H24N2O2 |
|---|---|
| Molecular Weight | 300.18 g/mol |
| LogP | 2.88688 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.18378 |
| Heavy Atoms | 22 |
| Complexity | 568.45074 |
Chemical Identifiers
| CAS Number | 1007994-87-7 |
|---|---|
| SMILES | COC1=CC=CC=C1C2C3CCCCC3(CCN2CC#N)O |
Product Overview
[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile (CAS 1007994-87-7), with molecular formula C18H24N2O2 and molecular weight 300.18 g/mol. IUPAC: 2-[4a-hydroxy-1-(2-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]acetonitrile.
Chemical Property Profile of [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile
Property Insights of [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile
The XLogP value of 2.88688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile. With a topological polar surface area (TPSA) of 56.49 Ų, [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-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 [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile?
The CAS number of [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile is 1007994-87-7.
What is the molecular formula of [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile?
The molecular formula of [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile is C18H24N2O2.
What is the molecular weight of [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile?
The molecular weight of [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile is 300.18 g/mol.
Where can I buy [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile?
You can request a quote for [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-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 [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.