N-Demethylfleroxacin
TL;DR: N-Demethylfleroxacin (CAS 83869-98-1) is a chemical compound with molecular formula C16H16F3N3O3 and molecular weight 355.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-difluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
Also Known As: N-Demethylfleroxacin, Demethylfleroxacin, Desmethylfleroxacin, N-Desmethylfleroxacin, Ro-19-7513
| Molecular Formula | C16H16F3N3O3 |
|---|---|
| Molecular Weight | 355.11 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.11438 |
| Heavy Atoms | 25 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 83869-98-1 |
|---|---|
| SMILES | C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F |
| InChIKey | HFMBQTZRNSPHRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Demethylfleroxacin (CAS 83869-98-1), with molecular formula C16H16F3N3O3 and molecular weight 355.11 g/mol. IUPAC: 6,8-difluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid.
Chemical Property Profile of N-Demethylfleroxacin
Property Insights of N-Demethylfleroxacin
The XLogP value of -1.2 indicates that N-Demethylfleroxacin 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 N-Demethylfleroxacin. Following Lipinski's Rule of Five, N-Demethylfleroxacin has 2 hydrogen bond donor(s) and 9 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 N-Demethylfleroxacin?
The CAS number of N-Demethylfleroxacin is 83869-98-1.
What is the molecular formula of N-Demethylfleroxacin?
The molecular formula of N-Demethylfleroxacin is C16H16F3N3O3.
What is the molecular weight of N-Demethylfleroxacin?
The molecular weight of N-Demethylfleroxacin is 355.11 g/mol.
Where can I buy N-Demethylfleroxacin?
You can request a quote for N-Demethylfleroxacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Demethylfleroxacin?
Yes, KEHONG BIO provides custom synthesis services for N-Demethylfleroxacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.