1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl-
TL;DR: 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl- (CAS 63385-90-0) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
Also Known As: 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl-, 2-methyl-5,6-benzo-2-azabicyclo<2.2.2>octane, 1,2,3,4-Tetrahydro-2-methyl-1,4-ethanoisoquinoline, 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl, 9-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 63385-90-0 |
|---|---|
| SMILES | CN1CC2CCC1C3=CC=CC=C23 |
| InChIKey | IQTPDEXMNFIZKU-UHFFFAOYSA-N |
Product Overview
1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl- (CAS 63385-90-0), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 9-methyl-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene.
Chemical Property Profile of 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl-
Property Insights of 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl-. With a topological polar surface area (TPSA) of 3.2 Ų, 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl- has 0 hydrogen bond donor(s) and 1 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 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl-?
The CAS number of 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl- is 63385-90-0.
What is the molecular formula of 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl-?
The molecular formula of 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl- is C12H15N.
What is the molecular weight of 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl-?
The molecular weight of 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl- is 173.12 g/mol.
Where can I buy 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl-?
You can request a quote for 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Ethanoisoquinoline, 1,2,3,4-tetrahydro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.