6-Methoxy-8-nitrocinconinaldehyde
TL;DR: 6-Methoxy-8-nitrocinconinaldehyde (CAS 71601-22-4) is a chemical compound with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-8-nitroquinoline-4-carbaldehyde
Also Known As: 6-Methoxy-8-nitrocinconinaldehyde, 4-Quinolinecarboxaldehyde, 6-methoxy-8-nitro-, 6-methoxy-8-nitroquinoline-4-carbaldehyde, 6-Methoxy-8-nitro-4-quinolinecarbaldehyde #
| Molecular Formula | C11H8N2O4 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.0484 |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 71601-22-4 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C(=C1)[N+](=O)[O-])C=O |
| InChIKey | XAROKBSNRGYFTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methoxy-8-nitrocinconinaldehyde (CAS 71601-22-4), with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol. IUPAC: 6-methoxy-8-nitroquinoline-4-carbaldehyde.
Chemical Property Profile of 6-Methoxy-8-nitrocinconinaldehyde
Property Insights of 6-Methoxy-8-nitrocinconinaldehyde
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-8-nitrocinconinaldehyde. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methoxy-8-nitrocinconinaldehyde. Following Lipinski's Rule of Five, 6-Methoxy-8-nitrocinconinaldehyde has 0 hydrogen bond donor(s) and 5 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 6-Methoxy-8-nitrocinconinaldehyde?
The CAS number of 6-Methoxy-8-nitrocinconinaldehyde is 71601-22-4.
What is the molecular formula of 6-Methoxy-8-nitrocinconinaldehyde?
The molecular formula of 6-Methoxy-8-nitrocinconinaldehyde is C11H8N2O4.
What is the molecular weight of 6-Methoxy-8-nitrocinconinaldehyde?
The molecular weight of 6-Methoxy-8-nitrocinconinaldehyde is 232.05 g/mol.
Where can I buy 6-Methoxy-8-nitrocinconinaldehyde?
You can request a quote for 6-Methoxy-8-nitrocinconinaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-8-nitrocinconinaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-8-nitrocinconinaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.