piperazinyl)-4-oxo
TL;DR: piperazinyl)-4-oxo (CAS 116163-02-1) is a chemical compound with molecular formula C19H24FN3O3 and molecular weight 361.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Also Known As: piperazinyl)-4-oxo, PD 161314, 1-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid, 1-tert-Butyl-6-fluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, 1-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C19H24FN3O3 |
|---|---|
| Molecular Weight | 361.18 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.18018 |
| Heavy Atoms | 26 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 116163-02-1 |
|---|---|
| SMILES | CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C(C)(C)C)F |
| InChIKey | ZMTUMOZDZAJLFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
piperazinyl)-4-oxo (CAS 116163-02-1), with molecular formula C19H24FN3O3 and molecular weight 361.18 g/mol. IUPAC: 1-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of piperazinyl)-4-oxo
Property Insights of piperazinyl)-4-oxo
The XLogP value of -0.1 indicates that piperazinyl)-4-oxo 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 piperazinyl)-4-oxo. Following Lipinski's Rule of Five, piperazinyl)-4-oxo 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 piperazinyl)-4-oxo?
The CAS number of piperazinyl)-4-oxo is 116163-02-1.
What is the molecular formula of piperazinyl)-4-oxo?
The molecular formula of piperazinyl)-4-oxo is C19H24FN3O3.
What is the molecular weight of piperazinyl)-4-oxo?
The molecular weight of piperazinyl)-4-oxo is 361.18 g/mol.
Where can I buy piperazinyl)-4-oxo?
You can request a quote for piperazinyl)-4-oxo directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for piperazinyl)-4-oxo?
Yes, KEHONG BIO provides custom synthesis services for piperazinyl)-4-oxo and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.