RefChem:350080
TL;DR: RefChem:350080 (CAS 64047-64-9) is a chemical compound with molecular formula C17H30Br2N2 and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide
Also Known As: IN 321, Isoquinolinium, 1,2,3,4-tetrahydro-1,2-dimethyl-2-(3-(trimethylammonio)propyl)-, dibromide, Ammonium, (3-(1,2-dimethyl-1,2,3,4-tetrahydroisoquinolinio)propyl)trimethyl-, dibromide, 3-(1,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide, Isoquinolinium, 1,2,3,4-tetrahydro-1,2-dimethyl-2-[3-(trimethylammonio)propyl]-, dibromide
| Molecular Formula | C17H30Br2N2 |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | -3.15 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.07553 |
| Heavy Atoms | 21 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 64047-64-9 |
|---|---|
| SMILES | CC1C2=CC=CC=C2CC[N+]1(C)CCC[N+](C)(C)C.[Br-].[Br-] |
| InChIKey | OXCMEGSBLSWICP-UHFFFAOYSA-L |
Product Overview
RefChem:350080 (CAS 64047-64-9), with molecular formula C17H30Br2N2 and molecular weight 420.08 g/mol. IUPAC: 3-(1,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide.
Chemical Property Profile of RefChem:350080
Property Insights of RefChem:350080
The XLogP value of -3.15 indicates that RefChem:350080 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:350080 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:350080 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:350080?
The CAS number of RefChem:350080 is 64047-64-9.
What is the molecular formula of RefChem:350080?
The molecular formula of RefChem:350080 is C17H30Br2N2.
What is the molecular weight of RefChem:350080?
The molecular weight of RefChem:350080 is 420.08 g/mol.
Where can I buy RefChem:350080?
You can request a quote for RefChem:350080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350080?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.