5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide
TL;DR: 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide (CAS 16232-80-7) is a chemical compound with molecular formula C13H14BrNO2 and molecular weight 295.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-ethylisoquinolin-2-ium-5-yl) acetate bromide
Also Known As: 2-Ethyl-5-hydroxyisoquinolinium acetate, bromide, (2-ethylisoquinolin-2-ium-5-yl) acetate bromide, ISOQUINOLINIUM, 2-ETHYL-5-HYDROXY-, ACETATE, BROMIDE, 5-(ACETYLOXY)-2-ETHYLISOQUINOLIN-2-IUM BROMIDE, Isoquinolinium, 5-(acetyloxy)-2-ethyl-, bromide
| Molecular Formula | C13H14BrNO2 |
|---|---|
| Molecular Weight | 295.02 g/mol |
| LogP | -0.92 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.02078 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 16232-80-7 |
|---|---|
| SMILES | CC[N+]1=CC2=C(C=C1)C(=CC=C2)OC(=O)C.[Br-] |
| InChIKey | DQQDMAYZPICFMH-UHFFFAOYSA-M |
Product Overview
5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide (CAS 16232-80-7), with molecular formula C13H14BrNO2 and molecular weight 295.02 g/mol. IUPAC: (2-ethylisoquinolin-2-ium-5-yl) acetate bromide.
Chemical Property Profile of 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide
Property Insights of 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide
The XLogP value of -0.92 indicates that 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.2 Ų, 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide has 0 hydrogen bond donor(s) and 3 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 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide?
The CAS number of 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide is 16232-80-7.
What is the molecular formula of 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide?
The molecular formula of 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide is C13H14BrNO2.
What is the molecular weight of 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide?
The molecular weight of 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide is 295.02 g/mol.
Where can I buy 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide?
You can request a quote for 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 5-(Acetyloxy)-2-ethylisoquinolin-2-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.