3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide
TL;DR: 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide (CAS 76587-96-7) is a chemical compound with molecular formula C18H18IN and molecular weight 375.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1,2-dimethylisoquinolin-2-ium iodide
Also Known As: 3-Benzyl-1,2-dimethyl-isoquinolinium, 3-benzyl-1,2-dimethyl-isoquinoline Iodide, 3-benzyl-1,2-dimethylisoquinolin-2-ium iodide, 3-benzyl-1,2-dimethylisoquinolin-2-ium;iodide
| Molecular Formula | C18H18IN |
|---|---|
| Molecular Weight | 375.05 g/mol |
| LogP | 0.56752 |
| Topological Polar Surface Area | 3.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.0484 |
| Heavy Atoms | 20 |
| Complexity | 720.06976 |
Chemical Identifiers
| CAS Number | 76587-96-7 |
|---|---|
| SMILES | CC1=[N+](C(=CC2=CC=CC=C12)CC3=CC=CC=C3)C.[I-] |
Product Overview
3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide (CAS 76587-96-7), with molecular formula C18H18IN and molecular weight 375.05 g/mol. IUPAC: 3-benzyl-1,2-dimethylisoquinolin-2-ium iodide.
Chemical Property Profile of 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide
Property Insights of 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide
The XLogP value of 0.56752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide. With a topological polar surface area (TPSA) of 3.88 Ų, 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide has 0 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 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide?
The CAS number of 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide is 76587-96-7.
What is the molecular formula of 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide?
The molecular formula of 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide is C18H18IN.
What is the molecular weight of 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide?
The molecular weight of 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide is 375.05 g/mol.
Where can I buy 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide?
You can request a quote for 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-1,2-dimethylisoquinolin-2-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.