Isoquinolinium, 2-ethyl-5-hydroxy-, bromide
TL;DR: Isoquinolinium, 2-ethyl-5-hydroxy-, bromide (CAS 4501-30-8) is a chemical compound with molecular formula C11H12BrNO and molecular weight 253.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylisoquinolin-2-ium-5-ol bromide
Also Known As: 2-Ethyl-5-hydroxyisoquinolinium, bromide, 2-ethylisoquinolin-2-ium-5-ol bromide, 2-ethylisoquinolin-2-ium-5-ol,bromide, 2-ethylisoquinolin-2-ium-5-ol;bromide, 2-Ethyl-5-hydroxyisoquinolin-2-ium bromide
| Molecular Formula | C11H12BrNO |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | -1.14 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.01022 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 4501-30-8 |
|---|---|
| SMILES | CC[N+]1=CC2=C(C=C1)C(=CC=C2)O.[Br-] |
| InChIKey | DGBDVEWOXFCLJE-UHFFFAOYSA-N |
Product Overview
Isoquinolinium, 2-ethyl-5-hydroxy-, bromide (CAS 4501-30-8), with molecular formula C11H12BrNO and molecular weight 253.01 g/mol. IUPAC: 2-ethylisoquinolin-2-ium-5-ol bromide.
Chemical Property Profile of Isoquinolinium, 2-ethyl-5-hydroxy-, bromide
Property Insights of Isoquinolinium, 2-ethyl-5-hydroxy-, bromide
The XLogP value of -1.14 indicates that Isoquinolinium, 2-ethyl-5-hydroxy-, bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.1 Ų, Isoquinolinium, 2-ethyl-5-hydroxy-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 2-ethyl-5-hydroxy-, bromide 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-ethyl-5-hydroxy-, bromide?
The CAS number of Isoquinolinium, 2-ethyl-5-hydroxy-, bromide is 4501-30-8.
What is the molecular formula of Isoquinolinium, 2-ethyl-5-hydroxy-, bromide?
The molecular formula of Isoquinolinium, 2-ethyl-5-hydroxy-, bromide is C11H12BrNO.
What is the molecular weight of Isoquinolinium, 2-ethyl-5-hydroxy-, bromide?
The molecular weight of Isoquinolinium, 2-ethyl-5-hydroxy-, bromide is 253.01 g/mol.
Where can I buy Isoquinolinium, 2-ethyl-5-hydroxy-, bromide?
You can request a quote for Isoquinolinium, 2-ethyl-5-hydroxy-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolinium, 2-ethyl-5-hydroxy-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 2-ethyl-5-hydroxy-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.