ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
TL;DR: ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 302799-17-3) is a chemical compound with molecular formula C22H24N4O6 and molecular weight 440.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylate
Also Known As: ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate, Ethyl 1-(2-furylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-quinoline-3-carboxylate, ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylate
| Molecular Formula | C22H24N4O6 |
|---|---|
| Molecular Weight | 440.17 g/mol |
| LogP | 2.4795 |
| Topological Polar Surface Area | 111.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.1696 |
| Heavy Atoms | 32 |
| Complexity | 1209.3744 |
Chemical Identifiers
| CAS Number | 302799-17-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCN(CC3)C)CC4=CC=CO4 |
Product Overview
ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 302799-17-3), with molecular formula C22H24N4O6 and molecular weight 440.17 g/mol. IUPAC: ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxoquinoline-3-carboxylate.
Chemical Property Profile of ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Property Insights of ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate
The XLogP value of 2.4795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate. The TPSA of 111.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate has 0 hydrogen bond donor(s) and 8 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 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The CAS number of ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate is 302799-17-3.
What is the molecular formula of ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular formula of ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate is C22H24N4O6.
What is the molecular weight of ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular weight of ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate is 440.17 g/mol.
Where can I buy ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
You can request a quote for ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-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 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(furan-2-ylmethyl)-7-(4-methylpiperazin-1-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.