8-(Ethoxymethyl)-1-methylisoquinoline
TL;DR: 8-(Ethoxymethyl)-1-methylisoquinoline (CAS 136602-84-1) is a chemical compound with molecular formula C13H15NO and molecular weight 201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(ethoxymethyl)-1-methylisoquinoline
Also Known As: 8-(ethoxymethyl)-1-methylisoquinoline, 1-Methyl-8-(ethoxymethyl)isoquinoline, Isoquinoline, 8-(ethoxymethyl)-1-methyl-
| Molecular Formula | C13H15NO |
|---|---|
| Molecular Weight | 201.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 22.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.11537 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 136602-84-1 |
|---|---|
| SMILES | CCOCC1=CC=CC2=C1C(=NC=C2)C |
| InChIKey | CQPUZARLEJQMDJ-UHFFFAOYSA-N |
Product Overview
8-(Ethoxymethyl)-1-methylisoquinoline (CAS 136602-84-1), with molecular formula C13H15NO and molecular weight 201.12 g/mol. IUPAC: 8-(ethoxymethyl)-1-methylisoquinoline.
Chemical Property Profile of 8-(Ethoxymethyl)-1-methylisoquinoline
Property Insights of 8-(Ethoxymethyl)-1-methylisoquinoline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Ethoxymethyl)-1-methylisoquinoline. With a topological polar surface area (TPSA) of 22.1 Ų, 8-(Ethoxymethyl)-1-methylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-(Ethoxymethyl)-1-methylisoquinoline has 0 hydrogen bond donor(s) and 2 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 8-(Ethoxymethyl)-1-methylisoquinoline?
The CAS number of 8-(Ethoxymethyl)-1-methylisoquinoline is 136602-84-1.
What is the molecular formula of 8-(Ethoxymethyl)-1-methylisoquinoline?
The molecular formula of 8-(Ethoxymethyl)-1-methylisoquinoline is C13H15NO.
What is the molecular weight of 8-(Ethoxymethyl)-1-methylisoquinoline?
The molecular weight of 8-(Ethoxymethyl)-1-methylisoquinoline is 201.12 g/mol.
Where can I buy 8-(Ethoxymethyl)-1-methylisoquinoline?
You can request a quote for 8-(Ethoxymethyl)-1-methylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Ethoxymethyl)-1-methylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-(Ethoxymethyl)-1-methylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.