2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid
TL;DR: 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid (CAS 1397002-09-3) is a chemical compound with molecular formula C26H29FN4O6 and molecular weight 512.2071 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid
Also Known As: 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid, 2-[[1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxoquinoline-3-carbonyl]amino]-3-methylbutanoic acid
Technical Specifications
| Molecular Formula | C26H29FN4O6 |
| Molecular Weight | 512.2071 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.2071 Da |
| Heavy Atoms | 37 |
| Complexity | 934.0 |
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=CO4)F)C(=O)NC(C(C)C)C(=O)O |
| InChIKey | HNFBLDYRSOKDNP-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid
Property Insights of 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid?
The CAS number of 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid is 1397002-09-3.
What is the molecular formula of 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid?
The molecular formula of 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid is C26H29FN4O6.
What is the molecular weight of 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid?
The molecular weight of 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid is 512.2071 g/mol.
Where can I buy 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid?
You can request a quote for 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(1-ethyl-6-fluoro-7-(4-(furan-2-carbonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamido)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.