1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride
TL;DR: 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride (CAS 155413-72-2) 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-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: 1-benzyl-3,4-dihydro-1H-isoquinoline Chloride, 1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, 1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride
| Molecular Formula | C16H18ClN |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | -0.9061 |
| Topological Polar Surface Area | 16.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.11276 |
| Heavy Atoms | 18 |
| Complexity | 495.45996 |
Chemical Identifiers
| CAS Number | 155413-72-2 |
|---|---|
| SMILES | C1C[NH2+]C(C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-] |
Product Overview
1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride (CAS 155413-72-2), with molecular formula C16H18ClN and molecular weight 259.11 g/mol. IUPAC: 1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.
Chemical Property Profile of 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride
Property Insights of 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride
The XLogP value of -0.9061 indicates that 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 16.61 Ų, 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride has 1 hydrogen bond donor(s) and 0 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-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride?
The CAS number of 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride is 155413-72-2.
What is the molecular formula of 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride?
The molecular formula of 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride is C16H18ClN.
What is the molecular weight of 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride?
The molecular weight of 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride is 259.11 g/mol.
Where can I buy 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride?
You can request a quote for 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium;chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.