1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile
TL;DR: 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile (CAS 412958-28-2) is a chemical compound with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6,7-dimethoxy-3-methylisoquinoline-4-carbonitrile
Also Known As: BAS 00437774, 1-ethyl-6,7-dimethoxy-3-methylisoquinoline-4-carbonitrile, 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile, 1-Ethyl-6,7-dimethoxy-3-methyl-isoquinoline-4-carbonitrile, 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile #
| Molecular Formula | C15H16N2O2 |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.1212 |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 412958-28-2 |
|---|---|
| SMILES | CCC1=NC(=C(C2=CC(=C(C=C21)OC)OC)C#N)C |
| InChIKey | INUQHBYKWAHONZ-UHFFFAOYSA-N |
Product Overview
1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile (CAS 412958-28-2), with molecular formula C15H16N2O2 and molecular weight 256.12 g/mol. IUPAC: 1-ethyl-6,7-dimethoxy-3-methylisoquinoline-4-carbonitrile.
Chemical Property Profile of 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile
Property Insights of 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile
The XLogP value of 3.0 indicates that 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile has 0 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-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile?
The CAS number of 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile is 412958-28-2.
What is the molecular formula of 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile?
The molecular formula of 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile is C15H16N2O2.
What is the molecular weight of 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile?
The molecular weight of 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile is 256.12 g/mol.
Where can I buy 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile?
You can request a quote for 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-6,7-dimethoxy-3-methyl-4-isoquinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.