RefChem:1061374
TL;DR: RefChem:1061374 (CAS 132680-99-0) is a chemical compound with molecular formula C18H30I2N2O2 and molecular weight 560.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)ethyl-trimethylazanium;iodide;hydroiodide
Also Known As: Trimethyl-(2-(3,3-dimethyl-6,7-dimethoxy-3,4-dihydroisoquinolin-1-on))ethylammonium diiodide, 1-Isoquinolineethanaminium, 3,4-dihydro-6,7-dimethoxy-N,N,N,3,3-pentamethyl-, iodide, hydriodide, 2-(6,7-Dimethoxy-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-N,N,N-trimethylethan-1-aminium iodide--hydrogen iodide (1/1/1), 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)ethyl-trimethylazanium iodide hydroiodide, 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)ethyl-trimethylazanium,iodide,hydroiodide
| Molecular Formula | C18H30I2N2O2 |
|---|---|
| Molecular Weight | 560.04 g/mol |
| LogP | 0.5459 |
| Topological Polar Surface Area | 30.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 560.0397 |
| Heavy Atoms | 24 |
| Complexity | 593.41693 |
Chemical Identifiers
| CAS Number | 132680-99-0 |
|---|---|
| SMILES | CC1(CC2=CC(=C(C=C2C(=N1)CC[N+](C)(C)C)OC)OC)C.I.[I-] |
Product Overview
RefChem:1061374 (CAS 132680-99-0), with molecular formula C18H30I2N2O2 and molecular weight 560.04 g/mol. IUPAC: 2-(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)ethyl-trimethylazanium;iodide;hydroiodide.
Chemical Property Profile of RefChem:1061374
Property Insights of RefChem:1061374
The XLogP value of 0.5459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1061374. With a topological polar surface area (TPSA) of 30.82 Ų, RefChem:1061374 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1061374 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1061374?
The CAS number of RefChem:1061374 is 132680-99-0.
What is the molecular formula of RefChem:1061374?
The molecular formula of RefChem:1061374 is C18H30I2N2O2.
What is the molecular weight of RefChem:1061374?
The molecular weight of RefChem:1061374 is 560.04 g/mol.
Where can I buy RefChem:1061374?
You can request a quote for RefChem:1061374 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1061374?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1061374 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.