Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride
TL;DR: Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride (CAS 69381-52-8) is a chemical compound with molecular formula C22H22ClN and molecular weight 335.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-8-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: 2-Benzyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride, 1,2,3,4-Tetrahydro-2-benzyl-8-phenylisoquinoline hydrochloride, 2-benzyl-8-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-BENZYL-8-PHENYL-, HYDROCHLORIDE, RefChem:1087725
| Molecular Formula | C22H22ClN |
|---|---|
| Molecular Weight | 335.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.14407 |
| Heavy Atoms | 24 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 69381-52-8 |
|---|---|
| SMILES | C1C[NH+](CC2=C1C=CC=C2C3=CC=CC=C3)CC4=CC=CC=C4.[Cl-] |
| InChIKey | PTQLFCVMYMCDGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride (CAS 69381-52-8), with molecular formula C22H22ClN and molecular weight 335.14 g/mol. IUPAC: 2-benzyl-8-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.
Chemical Property Profile of Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride
Property Insights of Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride. With a topological polar surface area (TPSA) of 4.4 Ų, Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride has 1 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 Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride?
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride is 69381-52-8.
What is the molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride?
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride is C22H22ClN.
What is the molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride?
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride is 335.14 g/mol.
Where can I buy Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride?
You can request a quote for Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1,2,3,4-tetrahydro-2-benzyl-8-phenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.