(1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
TL;DR: (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium (CAS 81165-23-3) is a chemical compound with molecular formula C18H22NO2+ and molecular weight 284.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
Also Known As: (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium, 1-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium, 1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline,hydrochloride
| Molecular Formula | C18H22NO2+ |
|---|---|
| Molecular Weight | 284.17 g/mol |
| LogP | 2.1071 |
| Topological Polar Surface Area | 35.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.16504 |
| Heavy Atoms | 21 |
| Complexity | 610.1154 |
Chemical Identifiers
| CAS Number | 81165-23-3 |
|---|---|
| SMILES | COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)CC3=CC=CC=C3)OC |
Product Overview
(1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium (CAS 81165-23-3), with molecular formula C18H22NO2+ and molecular weight 284.17 g/mol. IUPAC: (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium.
Chemical Property Profile of (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
Property Insights of (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
The XLogP value of 2.1071 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium. With a topological polar surface area (TPSA) of 35.07 Ų, (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium has 1 hydrogen bond donor(s) and 2 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 (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium?
The CAS number of (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium is 81165-23-3.
What is the molecular formula of (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium?
The molecular formula of (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium is C18H22NO2+.
What is the molecular weight of (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium?
The molecular weight of (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium is 284.17 g/mol.
Where can I buy (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium?
You can request a quote for (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium?
Yes, KEHONG BIO provides custom synthesis services for (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.