RefChem:221865
TL;DR: RefChem:221865 (CAS 116162-91-5) 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.
1-tert-butyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
Also Known As: 1-tert-butyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid, 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-, 1-tert-Butyl-6-fluoro-1,4-dihydro-4-oxo-7-piperazino-1,8-naphthyridine-3-carboxylic acid, 2,5-Heptadienedioic acid,2,6-dicyano-3,5-dihydroxy-,diethyl ester, 1,8-Naphthyridine-3-carboxylicacid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-
| Molecular Formula | C17H21FN4O3 |
|---|---|
| Molecular Weight | 348.16 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.15976 |
| Heavy Atoms | 25 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 116162-91-5 |
|---|---|
| SMILES | CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3CCNCC3)F)C(=O)O |
| InChIKey | DEYKINRXCLHCDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:221865 (CAS 116162-91-5), with molecular formula C17H21FN4O3 and molecular weight 348.16 g/mol. IUPAC: 1-tert-butyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid.
Chemical Property Profile of RefChem:221865
Property Insights of RefChem:221865
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:221865. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:221865. Following Lipinski's Rule of Five, RefChem:221865 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 RefChem:221865?
The CAS number of RefChem:221865 is 116162-91-5.
What is the molecular formula of RefChem:221865?
The molecular formula of RefChem:221865 is C17H21FN4O3.
What is the molecular weight of RefChem:221865?
The molecular weight of RefChem:221865 is 348.16 g/mol.
Where can I buy RefChem:221865?
You can request a quote for RefChem:221865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:221865?
Yes, KEHONG BIO provides custom synthesis services for RefChem:221865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.