4-Methyl-5-nitroisoquinoline-1-carbaldehyde
TL;DR: 4-Methyl-5-nitroisoquinoline-1-carbaldehyde (CAS 59261-41-5) is a chemical compound with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-nitroisoquinoline-1-carbaldehyde
Also Known As: 4-methyl-5-nitroisoquinoline-1-carbaldehyde, 4-methyl-5-nitro-isoquinoline-1-carbaldehyde, 4-methyl-5-nitro-1-isoquinolinecarbaldehyde
| Molecular Formula | C11H8N2O3 |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.0535 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 59261-41-5 |
|---|---|
| SMILES | CC1=CN=C(C2=C1C(=CC=C2)[N+](=O)[O-])C=O |
| InChIKey | QZPMIMWEGMCUPZ-UHFFFAOYSA-N |
Product Overview
4-Methyl-5-nitroisoquinoline-1-carbaldehyde (CAS 59261-41-5), with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol. IUPAC: 4-methyl-5-nitroisoquinoline-1-carbaldehyde.
Chemical Property Profile of 4-Methyl-5-nitroisoquinoline-1-carbaldehyde
Property Insights of 4-Methyl-5-nitroisoquinoline-1-carbaldehyde
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-5-nitroisoquinoline-1-carbaldehyde. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-5-nitroisoquinoline-1-carbaldehyde. Following Lipinski's Rule of Five, 4-Methyl-5-nitroisoquinoline-1-carbaldehyde has 0 hydrogen bond donor(s) and 4 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 4-Methyl-5-nitroisoquinoline-1-carbaldehyde?
The CAS number of 4-Methyl-5-nitroisoquinoline-1-carbaldehyde is 59261-41-5.
What is the molecular formula of 4-Methyl-5-nitroisoquinoline-1-carbaldehyde?
The molecular formula of 4-Methyl-5-nitroisoquinoline-1-carbaldehyde is C11H8N2O3.
What is the molecular weight of 4-Methyl-5-nitroisoquinoline-1-carbaldehyde?
The molecular weight of 4-Methyl-5-nitroisoquinoline-1-carbaldehyde is 216.05 g/mol.
Where can I buy 4-Methyl-5-nitroisoquinoline-1-carbaldehyde?
You can request a quote for 4-Methyl-5-nitroisoquinoline-1-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-5-nitroisoquinoline-1-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-5-nitroisoquinoline-1-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.