6-Ethoxy-1,2,3,4-tetrahydroisoquinoline
TL;DR: 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline (CAS 630407-52-2) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-1,2,3,4-tetrahydroisoquinoline
Also Known As: 6-ethoxy-1,2,3,4-tetrahydroisoquinoline, 6-Ethoxy-1,2,3,4-tetrahydro-isoquinoline, Isoquinoline, 6-ethoxy-1,2,3,4-tetrahydro- (9CI), Isoquinoline,6-ethoxy-1,2,3,4-tetrahydro-
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 630407-52-2 |
|---|---|
| SMILES | CCOC1=CC2=C(CNCC2)C=C1 |
| InChIKey | WRHBHXZLVGXOTR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Ethoxy-1,2,3,4-tetrahydroisoquinoline (CAS 630407-52-2), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: 6-ethoxy-1,2,3,4-tetrahydroisoquinoline.
Chemical Property Profile of 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline
Property Insights of 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 21.3 Ų, 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline has 1 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-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline is 630407-52-2.
What is the molecular formula of 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline is C11H15NO.
What is the molecular weight of 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline is 177.12 g/mol.
Where can I buy 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.