2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile
TL;DR: 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile (CAS 511513-75-0) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetonitrile
Also Known As: A2108/0088580, 2-(6,7-dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile, (2Z)-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)ethanenitrile, (2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetonitrile, (Z)-2-(6,7-dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)acetonitrile
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 2.49258 |
| Topological Polar Surface Area | 54.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 568.2437 |
Chemical Identifiers
| CAS Number | 511513-75-0 |
|---|---|
| SMILES | CC1(CC2=CC(=C(C=C2/C(=C/C#N)/N1)OC)OC)C |
Product Overview
2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile (CAS 511513-75-0), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: (2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetonitrile.
Chemical Property Profile of 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile
Property Insights of 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile
The XLogP value of 2.49258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile. With a topological polar surface area (TPSA) of 54.28 Ų, 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile 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 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile?
The CAS number of 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile is 511513-75-0.
What is the molecular formula of 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile?
The molecular formula of 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile is C15H18N2O2.
What is the molecular weight of 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile?
The molecular weight of 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile is 258.14 g/mol.
Where can I buy 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile?
You can request a quote for 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(6,7-Dimethoxy-3,3-dimethyl-2,3,4-trihydroisoquinolylidene)ethanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.