Quinolone der.
TL;DR: Quinolone der. (CAS 116162-74-4) is a chemical compound with molecular formula C18H22FN3O3 and molecular weight 347.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Also Known As: Quinolone der., 3-Quinolinecarboxylic acid, 1,4-dihydro-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-, 1,4-Dihydro-1-(tert-butyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid, 3-Quinolinecarboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, 1-(tert-Butyl)-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C18H22FN3O3 |
|---|---|
| Molecular Weight | 347.16 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.16452 |
| Heavy Atoms | 25 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 116162-74-4 |
|---|---|
| SMILES | CC(C)(C)N1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O |
| InChIKey | CTXPWRRGJDHGNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinolone der. (CAS 116162-74-4), with molecular formula C18H22FN3O3 and molecular weight 347.16 g/mol. IUPAC: 1-tert-butyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid.
Chemical Property Profile of Quinolone der.
Property Insights of Quinolone der.
The XLogP value of -0.4 indicates that Quinolone der. is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinolone der.. Following Lipinski's Rule of Five, Quinolone der. has 2 hydrogen bond donor(s) and 7 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 Quinolone der.?
The CAS number of Quinolone der. is 116162-74-4.
What is the molecular formula of Quinolone der.?
The molecular formula of Quinolone der. is C18H22FN3O3.
What is the molecular weight of Quinolone der.?
The molecular weight of Quinolone der. is 347.16 g/mol.
Where can I buy Quinolone der.?
You can request a quote for Quinolone der. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolone der.?
Yes, KEHONG BIO provides custom synthesis services for Quinolone der. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.