3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
TL;DR: 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride (CAS 69381-58-4) 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.
3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride, 1,2,3,4-Tetrahydro-3-methyl-8-phenylisoquinoline hydrochloride, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-3-METHYL-8-PHENYL-, HYDROCHLORIDE, 3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
| Molecular Formula | C16H18ClN |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | -0.63 |
| Topological Polar Surface Area | 16.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.11276 |
| Heavy Atoms | 18 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 69381-58-4 |
|---|---|
| SMILES | CC1CC2=C(C[NH2+]1)C(=CC=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | VCIGSTGNWVZWQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride (CAS 69381-58-4), with molecular formula C16H18ClN and molecular weight 259.11 g/mol. IUPAC: 3-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.
Chemical Property Profile of 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
Property Insights of 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
The XLogP value of -0.63 indicates that 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 16.6 Ų, 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline 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 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride?
The CAS number of 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride is 69381-58-4.
What is the molecular formula of 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride?
The molecular formula of 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride is C16H18ClN.
What is the molecular weight of 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride?
The molecular weight of 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride is 259.11 g/mol.
Where can I buy 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride?
You can request a quote for 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.