(2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
TL;DR: (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (CAS 16880-87-8) 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.
(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol
Also Known As: (2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol, (2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol, J1.400.476I, 2-methyl-1,2,3,4-tetrahydro-3-isoquinolinemethanol, (2-Methyl-1,2,3,4-tetrahydro-3-isoquinolyl)methanol
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 16880-87-8 |
|---|---|
| SMILES | CN1CC2=CC=CC=C2CC1CO |
| InChIKey | SWUVPLABKHJMQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (CAS 16880-87-8), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: (2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanol.
Chemical Property Profile of (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
Property Insights of (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol. With a topological polar surface area (TPSA) of 23.5 Ų, (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol 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 (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The CAS number of (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol is 16880-87-8.
What is the molecular formula of (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The molecular formula of (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol is C11H15NO.
What is the molecular weight of (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
The molecular weight of (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol is 177.12 g/mol.
Where can I buy (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
You can request a quote for (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (2-Methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.