6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
TL;DR: 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline (CAS 59529-93-0) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Also Known As: 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline, 6-ethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline, 6-ethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline, 2-Methyl-6-ethoxy-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 59529-93-0 |
|---|---|
| SMILES | CCOC1=CC2=C(CN(CC2)C)C=C1 |
| InChIKey | ZORGQKPNLBAWGR-UHFFFAOYSA-N |
Product Overview
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline (CAS 59529-93-0), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Property Insights of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline. With a topological polar surface area (TPSA) of 12.5 Ų, 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline 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 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The CAS number of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline is 59529-93-0.
What is the molecular formula of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The molecular formula of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline is C12H17NO.
What is the molecular weight of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The molecular weight of 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline is 191.13 g/mol.
Where can I buy 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
You can request a quote for 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.