![7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid structure](/static/products/498/498538-26-4.png)
7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
TL;DR: 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid (CAS 498538-26-4) is a chemical compound with molecular formula C24H22FN5O6S and molecular weight 527.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(1,3-benzodioxole-5-carbonylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Also Known As: 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid, 7-[4-(1,3-benzodioxole-5-carbonylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid, 7-{4-[(1,3-benzodioxol-5-ylcarbonyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
| Molecular Formula | C24H22FN5O6S |
|---|---|
| Molecular Weight | 527.13 g/mol |
| LogP | 1.8193 |
| Topological Polar Surface Area | 126.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 527.1275 |
| Heavy Atoms | 37 |
| Complexity | 1501.2084 |
Chemical Identifiers
| CAS Number | 498538-26-4 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC5=C(C=C4)OCO5)F)C(=O)O |
Product Overview
7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid (CAS 498538-26-4), with molecular formula C24H22FN5O6S and molecular weight 527.13 g/mol. IUPAC: 7-[4-(1,3-benzodioxole-5-carbonylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
Chemical Property Profile of 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
Property Insights of 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
The XLogP value of 1.8193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid. The TPSA of 126.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid?
The CAS number of 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid is 498538-26-4.
What is the molecular formula of 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid?
The molecular formula of 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid is C24H22FN5O6S.
What is the molecular weight of 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid?
The molecular weight of 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid is 527.13 g/mol.
Where can I buy 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid?
You can request a quote for 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-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-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-((benzo[d][1,3]dioxole-5-carbonyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.