![7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid structure](/static/products/2116/211633-92-0.webp)
7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
TL;DR: 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CAS 211633-92-0) is a chemical compound with molecular formula C18H15FN4O7 and molecular weight 418.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid, 7-(4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-[4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, 7-[4,5-bis(methoxycarbonyl)-1H-1,2,3-triazol-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C18H15FN4O7 |
|---|---|
| Molecular Weight | 418.09 g/mol |
| LogP | 1.0126 |
| Topological Polar Surface Area | 142.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.09247 |
| Heavy Atoms | 30 |
| Complexity | 1261.6339 |
Chemical Identifiers
| CAS Number | 211633-92-0 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3C(=C(N=N3)C(=O)OC)C(=O)OC)F)C(=O)O |
Product Overview
7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CAS 211633-92-0), with molecular formula C18H15FN4O7 and molecular weight 418.09 g/mol. IUPAC: 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Property Insights of 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
The XLogP value of 1.0126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid. The TPSA of 142.61 Ų indicates high polarity, suggesting 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid has 1 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 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The CAS number of 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is 211633-92-0.
What is the molecular formula of 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The molecular formula of 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is C18H15FN4O7.
What is the molecular weight of 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The molecular weight of 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is 418.09 g/mol.
Where can I buy 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
You can request a quote for 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-[4,5-bis(methoxycarbonyl)triazol-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.