Methothalistyline diiodide
TL;DR: Methothalistyline diiodide (CAS 62251-50-7) is a chemical compound with molecular formula C42H52IN2O8+ and molecular weight 839.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methoxy-5-[[4-[2-methoxy-5-[(5,6,7-trimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
Also Known As: METHOTHALISTYLINE DIIODIDE, C(c1ccc(cc1)Oc2cc(ccc2OC)CC3c4cc(OC)c(OC)c(OC)c4CCN3(C)C)C5c6cc7OCOc7c(OC)c6CCN5(C)C, 9-methoxy-5-[[4-[2-methoxy-5-[(5,6,7-trimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
| Molecular Formula | C42H52IN2O8+ |
|---|---|
| Molecular Weight | 839.28 g/mol |
| LogP | 4.0872 |
| Topological Polar Surface Area | 73.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 839.27686 |
| Heavy Atoms | 53 |
| Complexity | 1962.442 |
Chemical Identifiers
| CAS Number | 62251-50-7 |
|---|---|
| SMILES | C[N+]1(CCC2=C(C3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C(=C7CC[N+]6(C)C)OC)OC)OC)OC)OCO3)OC)C.[I-] |
Product Overview
Methothalistyline diiodide (CAS 62251-50-7), with molecular formula C42H52IN2O8+ and molecular weight 839.28 g/mol. IUPAC: 9-methoxy-5-[[4-[2-methoxy-5-[(5,6,7-trimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl)methyl]phenoxy]phenyl]methyl]-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide.
Chemical Property Profile of Methothalistyline diiodide
Property Insights of Methothalistyline diiodide
The XLogP value of 4.0872 indicates that Methothalistyline diiodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Methothalistyline diiodide. Following Lipinski's Rule of Five, Methothalistyline diiodide has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methothalistyline diiodide?
The CAS number of Methothalistyline diiodide is 62251-50-7.
What is the molecular formula of Methothalistyline diiodide?
The molecular formula of Methothalistyline diiodide is C42H52IN2O8+.
What is the molecular weight of Methothalistyline diiodide?
The molecular weight of Methothalistyline diiodide is 839.28 g/mol.
Where can I buy Methothalistyline diiodide?
You can request a quote for Methothalistyline diiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methothalistyline diiodide?
Yes, KEHONG BIO provides custom synthesis services for Methothalistyline diiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.