RefChem:350082
TL;DR: RefChem:350082 (CAS 64047-66-1) is a chemical compound with molecular formula C18H30Br2N2 and molecular weight 432.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-3,4-dihydro-1H-isoquinolin-2-ium dibromide
Also Known As: IN 298, Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(3-(1-methylpyrrolidinio)propyl)-, dibromide, Pyrrolidinium, 1-methyl-1-(3-(2-methyl-1,2,3,4-tetrahydroisoquinolinio)propyl)-, dibromide, 2-methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-3,4-dihydro-1H-isoquinolin-2-ium dibromide, Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-[3-(1-methylpyrrolidinio)propyl]-, dibromide
| Molecular Formula | C18H30Br2N2 |
|---|---|
| Molecular Weight | 432.08 g/mol |
| LogP | -3.17 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.07553 |
| Heavy Atoms | 22 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 64047-66-1 |
|---|---|
| SMILES | C[N+]1(CCCC1)CCC[N+]2(CCC3=CC=CC=C3C2)C.[Br-].[Br-] |
| InChIKey | NESMARWNWRENBF-UHFFFAOYSA-L |
Product Overview
RefChem:350082 (CAS 64047-66-1), with molecular formula C18H30Br2N2 and molecular weight 432.08 g/mol. IUPAC: 2-methyl-2-[3-(1-methylpyrrolidin-1-ium-1-yl)propyl]-3,4-dihydro-1H-isoquinolin-2-ium dibromide.
Chemical Property Profile of RefChem:350082
Property Insights of RefChem:350082
The XLogP value of -3.17 indicates that RefChem:350082 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, RefChem:350082 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:350082 has 0 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 RefChem:350082?
The CAS number of RefChem:350082 is 64047-66-1.
What is the molecular formula of RefChem:350082?
The molecular formula of RefChem:350082 is C18H30Br2N2.
What is the molecular weight of RefChem:350082?
The molecular weight of RefChem:350082 is 432.08 g/mol.
Where can I buy RefChem:350082?
You can request a quote for RefChem:350082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350082?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.