isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt
TL;DR: isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt (CAS 56359-30-9) is a chemical compound with molecular formula C16H13NO2 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)isoquinolin-2-ium-4-olate
Also Known As: 2-(4-methoxyphenyl)isoquinolin-2-ium-4-olate, Isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt, RefChem:350107
| Molecular Formula | C16H13NO2 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 36.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.09464 |
| Heavy Atoms | 19 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 56359-30-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)[N+]2=CC3=CC=CC=C3C(=C2)[O-] |
| InChIKey | VASUQACDZUVHIF-UHFFFAOYSA-N |
Product Overview
isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt (CAS 56359-30-9), with molecular formula C16H13NO2 and molecular weight 251.09 g/mol. IUPAC: 2-(4-methoxyphenyl)isoquinolin-2-ium-4-olate.
Chemical Property Profile of isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt
Property Insights of isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt
The XLogP value of 4.2 indicates that isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.2 Ų, isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt 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 isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt?
The CAS number of isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt is 56359-30-9.
What is the molecular formula of isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt?
The molecular formula of isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt is C16H13NO2.
What is the molecular weight of isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt?
The molecular weight of isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt is 251.09 g/mol.
Where can I buy isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt?
You can request a quote for isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt?
Yes, KEHONG BIO provides custom synthesis services for isoquinolinium, 4-hydroxy-2-(4-methoxyphenyl)hydroxide, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.