Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
TL;DR: Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 57728-60-6) is a chemical compound with molecular formula C13H12N2O6 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methoxy-8-nitro-4-oxo-1H-quinoline-3-carboxylate
Also Known As: NIOSH/VB2110000, ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate, 2-[(3-bromophenyl)formamido]acetic acid, 3-Carbethoxy-6-methoxy-8-nitro-4-quinolinol, ethyl 6-methoxy-8-nitro-4-oxo-1H-quinoline-3-carboxylate
| Molecular Formula | C13H12N2O6 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.06955 |
| Heavy Atoms | 21 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 57728-60-6 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2[N+](=O)[O-])OC |
| InChIKey | LBBDRKQWRYCIMB-UHFFFAOYSA-N |
Product Overview
Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 57728-60-6), with molecular formula C13H12N2O6 and molecular weight 292.07 g/mol. IUPAC: ethyl 6-methoxy-8-nitro-4-oxo-1H-quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Property Insights of Ethyl 6-methoxy-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 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The CAS number of Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate is 57728-60-6.
What is the molecular formula of Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular formula of Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate is C13H12N2O6.
What is the molecular weight of Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular weight of Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate is 292.07 g/mol.
Where can I buy Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
You can request a quote for Ethyl 6-methoxy-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 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-methoxy-8-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.