RefChem:350083
TL;DR: RefChem:350083 (CAS 64047-67-2) is a chemical compound with molecular formula C16H28Br2N2 and molecular weight 406.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl]azanium dibromide
Also Known As: IN 243, Ammonium, (3-(2-methyl-1,2,3,4-tetrahydroisoquinolinio)propyl)trimethyl-, dibromide, Isoquinolinium, 1,2,3,4-tetrahydro-2-methyl-2-(3-(trimethylammonio)propyl)-, dibromide, trimethyl-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl]azanium dibromide, 2-Methyl-2-[3-(trimethylazaniumyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium dibromide
| Molecular Formula | C16H28Br2N2 |
|---|---|
| Molecular Weight | 406.06 g/mol |
| LogP | -3.71 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.05988 |
| Heavy Atoms | 20 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 64047-67-2 |
|---|---|
| SMILES | C[N+]1(CCC2=CC=CC=C2C1)CCC[N+](C)(C)C.[Br-].[Br-] |
| InChIKey | ZHRWFZMWXXRCDX-UHFFFAOYSA-L |
Product Overview
RefChem:350083 (CAS 64047-67-2), with molecular formula C16H28Br2N2 and molecular weight 406.06 g/mol. IUPAC: trimethyl-[3-(2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl]azanium dibromide.
Chemical Property Profile of RefChem:350083
Property Insights of RefChem:350083
The XLogP value of -3.71 indicates that RefChem:350083 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:350083 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:350083 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:350083?
The CAS number of RefChem:350083 is 64047-67-2.
What is the molecular formula of RefChem:350083?
The molecular formula of RefChem:350083 is C16H28Br2N2.
What is the molecular weight of RefChem:350083?
The molecular weight of RefChem:350083 is 406.06 g/mol.
Where can I buy RefChem:350083?
You can request a quote for RefChem:350083 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350083?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350083 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.