Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride
TL;DR: Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride (CAS 64059-45-6) is a chemical compound with molecular formula C14H20BrClN2 and molecular weight 330.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-isoquinolin-2-ium-2-ylpropyl(dimethyl)azanium;bromide;chloride
Also Known As: IN 322, ISOQUINOLINIUM, 2-(3-(DIMETHYLAMINO)PROPYL)-, BROMIDE, HYDROCHLORIDE, 3-isoquinolin-2-ium-2-ylpropyl(dimethyl)azanium bromide chloride, Isoquinolinium, 2-[3-(dimethylamino)propyl]-, bromide, hydrochloride
| Molecular Formula | C14H20BrClN2 |
|---|---|
| Molecular Weight | 330.05 g/mol |
| LogP | -5.33 |
| Topological Polar Surface Area | 8.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.04984 |
| Heavy Atoms | 18 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 64059-45-6 |
|---|---|
| SMILES | C[NH+](C)CCC[N+]1=CC2=CC=CC=C2C=C1.[Cl-].[Br-] |
| InChIKey | OIMCRYGRGHXRHC-UHFFFAOYSA-M |
Product Overview
Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride (CAS 64059-45-6), with molecular formula C14H20BrClN2 and molecular weight 330.05 g/mol. IUPAC: 3-isoquinolin-2-ium-2-ylpropyl(dimethyl)azanium;bromide;chloride.
Chemical Property Profile of Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride
Property Insights of Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride
The XLogP value of -5.33 indicates that Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 8.3 Ų, Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride has 1 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 Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride?
The CAS number of Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride is 64059-45-6.
What is the molecular formula of Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride?
The molecular formula of Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride is C14H20BrClN2.
What is the molecular weight of Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride?
The molecular weight of Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride is 330.05 g/mol.
Where can I buy Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride?
You can request a quote for Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 2-(3-(dimethylamino)propyl)-, bromide, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.