Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
TL;DR: Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 94110-86-8) is a chemical compound with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-nitro-4-oxo-1H-quinoline-3-carboxylate
Also Known As: Ethyl 4-hydroxy-8-nitroquinoline-3-carboxylate, ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate, ethyl 8-nitro-4-oxo-1H-quinoline-3-carboxylate, Ethyl4-hydroxy-8-nitroquinoline-3-carboxylate, J3.015.606D
| Molecular Formula | C12H10N2O5 |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.05896 |
| Heavy Atoms | 19 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 94110-86-8 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=C(C1=O)C=CC=C2[N+](=O)[O-] |
| InChIKey | ZTAWASGMGQOLHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 94110-86-8), with molecular formula C12H10N2O5 and molecular weight 262.06 g/mol. IUPAC: ethyl 8-nitro-4-oxo-1H-quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Property Insights of Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 6 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 Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The CAS number of Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate is 94110-86-8.
What is the molecular formula of Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular formula of Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate is C12H10N2O5.
What is the molecular weight of Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular weight of Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate is 262.06 g/mol.
Where can I buy Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
You can request a quote for Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.