1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline
TL;DR: 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline (CAS 54893-57-1) is a chemical compound with molecular formula C11H17NO and molecular weight 179.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-2-methyl-3,4,5,8-tetrahydro-1H-isoquinoline
Also Known As: 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline, 7-methoxy-2-methyl-1,2,3,4,5,8-hexahydro-isoquinoline, 7-methoxy-2-methyl-3,4,5,8-tetrahydro-1H-isoquinoline, Methyl 2-methyl-1,2,3,4,5,8-hexahydro-7-isoquinolinyl ether #
| Molecular Formula | C11H17NO |
|---|---|
| Molecular Weight | 179.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.13101 |
| Heavy Atoms | 13 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 54893-57-1 |
|---|---|
| SMILES | CN1CCC2=C(C1)CC(=CC2)OC |
| InChIKey | WSNQKYFWBZWEPZ-UHFFFAOYSA-N |
Product Overview
1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline (CAS 54893-57-1), with molecular formula C11H17NO and molecular weight 179.13 g/mol. IUPAC: 7-methoxy-2-methyl-3,4,5,8-tetrahydro-1H-isoquinoline.
Chemical Property Profile of 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline
Property Insights of 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline. With a topological polar surface area (TPSA) of 12.5 Ų, 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,5,8-Hexahydro-7-methoxy-2-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 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline?
The CAS number of 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline is 54893-57-1.
What is the molecular formula of 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline?
The molecular formula of 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline is C11H17NO.
What is the molecular weight of 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline?
The molecular weight of 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline is 179.13 g/mol.
Where can I buy 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline?
You can request a quote for 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,8-Hexahydro-7-methoxy-2-methylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.