2-Methyl-3,4-dihydropapaverinium
TL;DR: 2-Methyl-3,4-dihydropapaverinium (CAS 96550-47-9) is a chemical compound with molecular formula C21H26NO4+ and molecular weight 356.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium
Also Known As: 2-Methyl-3,4-dihydropapaverinium, 1-(3,4-Dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium, 3,4-Dihydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium iodide, 1-(3,4-dimethoxy-benzyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-isoquinolinium, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium
| Molecular Formula | C21H26NO4+ |
|---|---|
| Molecular Weight | 356.19 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.1862 |
| Heavy Atoms | 26 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 96550-47-9 |
|---|---|
| SMILES | C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CC3=CC(=C(C=C3)OC)OC |
| InChIKey | PLKJOOZHDCZCGL-UHFFFAOYSA-N |
Product Overview
2-Methyl-3,4-dihydropapaverinium (CAS 96550-47-9), with molecular formula C21H26NO4+ and molecular weight 356.19 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium.
Chemical Property Profile of 2-Methyl-3,4-dihydropapaverinium
Property Insights of 2-Methyl-3,4-dihydropapaverinium
The XLogP value of 3.0 indicates that 2-Methyl-3,4-dihydropapaverinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.9 Ų, 2-Methyl-3,4-dihydropapaverinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3,4-dihydropapaverinium has 0 hydrogen bond donor(s) and 4 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 2-Methyl-3,4-dihydropapaverinium?
The CAS number of 2-Methyl-3,4-dihydropapaverinium is 96550-47-9.
What is the molecular formula of 2-Methyl-3,4-dihydropapaverinium?
The molecular formula of 2-Methyl-3,4-dihydropapaverinium is C21H26NO4+.
What is the molecular weight of 2-Methyl-3,4-dihydropapaverinium?
The molecular weight of 2-Methyl-3,4-dihydropapaverinium is 356.19 g/mol.
Where can I buy 2-Methyl-3,4-dihydropapaverinium?
You can request a quote for 2-Methyl-3,4-dihydropapaverinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3,4-dihydropapaverinium?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3,4-dihydropapaverinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.