piperazinyl)-4-oxo
TL;DR: piperazinyl)-4-oxo (CAS 146567-18-2) is a chemical compound with molecular formula C17H21FN4O3 and molecular weight 348.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Also Known As: piperazinyl)-4-oxo, BMY 40124, BMY 40868, 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, 7-(3-Amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid
| Molecular Formula | C17H21FN4O3 |
|---|---|
| Molecular Weight | 348.16 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.15976 |
| Heavy Atoms | 25 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 146567-18-2 |
|---|---|
| SMILES | CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3CCC(C3)N)F)C(=O)O |
| InChIKey | NEKSSSDVZISHLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
piperazinyl)-4-oxo (CAS 146567-18-2), with molecular formula C17H21FN4O3 and molecular weight 348.16 g/mol. IUPAC: 7-(3-aminopyrrolidin-1-yl)-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid.
Chemical Property Profile of piperazinyl)-4-oxo
Property Insights of piperazinyl)-4-oxo
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for piperazinyl)-4-oxo. The TPSA of 99.8 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 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 piperazinyl)-4-oxo?
The CAS number of piperazinyl)-4-oxo is 146567-18-2.
What is the molecular formula of piperazinyl)-4-oxo?
The molecular formula of piperazinyl)-4-oxo is C17H21FN4O3.
What is the molecular weight of piperazinyl)-4-oxo?
The molecular weight of piperazinyl)-4-oxo is 348.16 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.