Isoquinoline aldoxime
TL;DR: Isoquinoline aldoxime (CAS 39977-76-9) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(isoquinolin-1-ylmethylidene)hydroxylamine
Also Known As: isoquinoline aldoxime, 1-isoquinolinecarboxaldehyde, oxime
| Molecular Formula | C10H8N2O |
|---|---|
| Molecular Weight | 172.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.06366 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 39977-76-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN=C2C=NO |
| InChIKey | BNNLCFGFOMODGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline aldoxime (CAS 39977-76-9), with molecular formula C10H8N2O and molecular weight 172.06 g/mol. IUPAC: N-(isoquinolin-1-ylmethylidene)hydroxylamine.
Chemical Property Profile of Isoquinoline aldoxime
Property Insights of Isoquinoline aldoxime
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline aldoxime. With a topological polar surface area (TPSA) of 45.5 Ų, Isoquinoline aldoxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline aldoxime has 1 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 aldoxime?
The CAS number of Isoquinoline aldoxime is 39977-76-9.
What is the molecular formula of Isoquinoline aldoxime?
The molecular formula of Isoquinoline aldoxime is C10H8N2O.
What is the molecular weight of Isoquinoline aldoxime?
The molecular weight of Isoquinoline aldoxime is 172.06 g/mol.
Where can I buy Isoquinoline aldoxime?
You can request a quote for Isoquinoline aldoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline aldoxime?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline aldoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.