1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
TL;DR: 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline (CAS 126114-63-4) is a chemical compound with molecular formula C16H18ClN and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride
Also Known As: 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline, FR 115427, 1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline, 1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride, (+)-1,2,3,4-Tetrahydro-1-methyl-1-phenylisoquinoline hydrochloride
| Molecular Formula | C16H18ClN |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | 3.5176 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.11276 |
| Heavy Atoms | 18 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 126114-63-4 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2CCN1)C3=CC=CC=C3.Cl |
| InChIKey | LUSUZDOXGNAITA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline (CAS 126114-63-4), with molecular formula C16H18ClN and molecular weight 259.11 g/mol. IUPAC: 1-methyl-1-phenyl-3,4-dihydro-2H-isoquinoline;hydrochloride.
Chemical Property Profile of 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
Property Insights of 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.5176 indicates that 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline has 2 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-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline is 126114-63-4.
What is the molecular formula of 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline is C16H18ClN.
What is the molecular weight of 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline is 259.11 g/mol.
Where can I buy 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 1-Methyl-1-phenyl-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 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.