2-Phenethyl-1,2,3,4-tetrahydroisoquinoline
TL;DR: 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline (CAS 54105-61-2) is a chemical compound with molecular formula C17H19N and molecular weight 237.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline
Also Known As: 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline, 2-phenethyl-3,4-dihydro-1H-isoquinoline, 2-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline, 2-Phenethyl-1,2,3,4-tetrahydro-isoquinoline, 1,2,3,4-Tetrahydro-2-(phenethyl)isoquinoline
| Molecular Formula | C17H19N |
|---|---|
| Molecular Weight | 237.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.15175 |
| Heavy Atoms | 18 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 54105-61-2 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CCC3=CC=CC=C3 |
| InChIKey | OECRBORQHDSXLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenethyl-1,2,3,4-tetrahydroisoquinoline (CAS 54105-61-2), with molecular formula C17H19N and molecular weight 237.15 g/mol. IUPAC: 2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline
Property Insights of 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 3.7 indicates that 2-Phenethyl-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 3.2 Ų, 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline 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 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline is 54105-61-2.
What is the molecular formula of 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline is C17H19N.
What is the molecular weight of 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline is 237.15 g/mol.
Where can I buy 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 2-Phenethyl-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 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenethyl-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.