Isoquinoline-5-boronic acid
TL;DR: Isoquinoline-5-boronic acid (CAS 192182-56-2) is a chemical compound with molecular formula C9H8BNO2 and molecular weight 173.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinolin-5-ylboronic acid
Also Known As: Isoquinoline-5-boronic acid, isoquinolin-5-ylboronic acid, 5-Isoquinolineboronic acid, null, 5-isoquinolylboronic acid
| Molecular Formula | C9H8BNO2 |
|---|---|
| Molecular Weight | 173.06 g/mol |
| LogP | -0.0854 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.0648 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 192182-56-2 |
|---|---|
| SMILES | B(C1=C2C=CN=CC2=CC=C1)(O)O |
| InChIKey | XKEYHBLSCGBBGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline-5-boronic acid (CAS 192182-56-2), with molecular formula C9H8BNO2 and molecular weight 173.06 g/mol. IUPAC: isoquinolin-5-ylboronic acid.
Chemical Property Profile of Isoquinoline-5-boronic acid
Property Insights of Isoquinoline-5-boronic acid
The XLogP value of -0.0854 indicates that Isoquinoline-5-boronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.4 Ų, Isoquinoline-5-boronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline-5-boronic acid has 2 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 Isoquinoline-5-boronic acid?
The CAS number of Isoquinoline-5-boronic acid is 192182-56-2.
What is the molecular formula of Isoquinoline-5-boronic acid?
The molecular formula of Isoquinoline-5-boronic acid is C9H8BNO2.
What is the molecular weight of Isoquinoline-5-boronic acid?
The molecular weight of Isoquinoline-5-boronic acid is 173.06 g/mol.
Where can I buy Isoquinoline-5-boronic acid?
You can request a quote for Isoquinoline-5-boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline-5-boronic acid?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline-5-boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.