5-Nitroisoquinoline
TL;DR: 5-Nitroisoquinoline (CAS 607-32-9) is a chemical compound with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitroisoquinoline
Also Known As: 5-Nitroisoquinoline, Isoquinoline, 5-nitro-, 5-nitroisochinolin, 5-Nitro-isoquinoline, 5-nitro isoquinoline
| Molecular Formula | C9H6N2O2 |
|---|---|
| Molecular Weight | 174.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.04292 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 607-32-9 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)[N+](=O)[O-] |
| InChIKey | PYGMPFQCCWBTJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitroisoquinoline (CAS 607-32-9), with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol. IUPAC: 5-nitroisoquinoline.
Chemical Property Profile of 5-Nitroisoquinoline
Property Insights of 5-Nitroisoquinoline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitroisoquinoline. With a topological polar surface area (TPSA) of 58.7 Ų, 5-Nitroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Nitroisoquinoline 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-Nitroisoquinoline?
The CAS number of 5-Nitroisoquinoline is 607-32-9.
What is the molecular formula of 5-Nitroisoquinoline?
The molecular formula of 5-Nitroisoquinoline is C9H6N2O2.
What is the molecular weight of 5-Nitroisoquinoline?
The molecular weight of 5-Nitroisoquinoline is 174.04 g/mol.
Where can I buy 5-Nitroisoquinoline?
You can request a quote for 5-Nitroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.