1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
TL;DR: 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CAS 125197-41-3) is a chemical compound with molecular formula C18H23FN4O3 and molecular weight 362.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Also Known As: 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid, 1,8-Naphthyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-, 1-(1,1-Dimethylethyl)-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid, 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
| Molecular Formula | C18H23FN4O3 |
|---|---|
| Molecular Weight | 362.18 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.1754 |
| Heavy Atoms | 26 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 125197-41-3 |
|---|---|
| SMILES | CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3CCN(CC3)C)F)C(=O)O |
| InChIKey | MXSNCHPXNXHHGK-UHFFFAOYSA-N |
Product Overview
1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CAS 125197-41-3), with molecular formula C18H23FN4O3 and molecular weight 362.18 g/mol. IUPAC: 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
Chemical Property Profile of 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
Property Insights of 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-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 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The CAS number of 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is 125197-41-3.
What is the molecular formula of 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The molecular formula of 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is C18H23FN4O3.
What is the molecular weight of 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The molecular weight of 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is 362.18 g/mol.
Where can I buy 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
You can request a quote for 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-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 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-butyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.