3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile
TL;DR: 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile (CAS 55329-75-4) is a chemical compound with molecular formula C15H16N2O and molecular weight 240.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethoxy-7-methylisoquinolin-6-yl)propanenitrile
Also Known As: 3-(3-ethoxy-7-methylisoquinolin-6-yl)propanenitrile, 3-(3-ethoxy-7-methyl-isoquinolin-6-yl)propanenitrile, 6-Carbethoxymethyl-3-hydroxy-7-methyl-isochinolin
| Molecular Formula | C15H16N2O |
|---|---|
| Molecular Weight | 240.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 45.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.12627 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 55329-75-4 |
|---|---|
| SMILES | CCOC1=NC=C2C=C(C(=CC2=C1)CCC#N)C |
| InChIKey | LCWUYDIBNSCHKS-UHFFFAOYSA-N |
Product Overview
3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile (CAS 55329-75-4), with molecular formula C15H16N2O and molecular weight 240.13 g/mol. IUPAC: 3-(3-ethoxy-7-methylisoquinolin-6-yl)propanenitrile.
Chemical Property Profile of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile
Property Insights of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile
The XLogP value of 3.1 indicates that 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.9 Ų, 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile has 0 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 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile?
The CAS number of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile is 55329-75-4.
What is the molecular formula of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile?
The molecular formula of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile is C15H16N2O.
What is the molecular weight of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile?
The molecular weight of 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile is 240.13 g/mol.
Where can I buy 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile?
You can request a quote for 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Ethoxy-7-methylisoquinolin-6-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.