![2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide structure](/static/products/6484/648427-33-2.webp)
2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide
TL;DR: 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide (CAS 648427-33-2) is a chemical compound with molecular formula C16H11BrClF3N2 and molecular weight 401.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]isoquinolin-2-ium bromide
Also Known As: 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide, 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]isoquinoline Bromide, 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]isoquinolin-2-ium bromide, 2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]isoquinolin-2-ium;bromide, 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolin-2-ium bromide
| Molecular Formula | C16H11BrClF3N2 |
|---|---|
| Molecular Weight | 401.97 g/mol |
| LogP | 1.2468 |
| Topological Polar Surface Area | 16.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 401.9746 |
| Heavy Atoms | 23 |
| Complexity | 836.91345 |
Chemical Identifiers
| CAS Number | 648427-33-2 |
|---|---|
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)CC3=C(C=C(C=N3)C(F)(F)F)Cl.[Br-] |
Product Overview
2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide (CAS 648427-33-2), with molecular formula C16H11BrClF3N2 and molecular weight 401.97 g/mol. IUPAC: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]isoquinolin-2-ium bromide.
Chemical Property Profile of 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide
Property Insights of 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide
The XLogP value of 1.2468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide. With a topological polar surface area (TPSA) of 16.77 Ų, 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide has 0 hydrogen bond donor(s) and 1 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-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide?
The CAS number of 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide is 648427-33-2.
What is the molecular formula of 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide?
The molecular formula of 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide is C16H11BrClF3N2.
What is the molecular weight of 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide?
The molecular weight of 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide is 401.97 g/mol.
Where can I buy 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide?
You can request a quote for 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}isoquinolinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.