N-Desmethylrufloxacin
TL;DR: N-Desmethylrufloxacin (CAS 101337-87-5) is a chemical compound with molecular formula C16H16FN3O3S and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-fluoro-10-oxo-6-piperazin-1-yl-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Also Known As: N-Desmethylrufloxacin, Lofloxacin, MF 922, 7-fluoro-10-oxo-6-piperazin-1-yl-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid, 7H-Pyrido(1,2,3-de)-1,4-benzothiazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-7-oxo-10-(1-piperazinyl)-
| Molecular Formula | C16H16FN3O3S |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.08963 |
| Heavy Atoms | 24 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 101337-87-5 |
|---|---|
| SMILES | C1CN(CCN1)C2=C(C=C3C4=C2SCCN4C=C(C3=O)C(=O)O)F |
| InChIKey | ZQFJNJCIBHVJMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Desmethylrufloxacin (CAS 101337-87-5), with molecular formula C16H16FN3O3S and molecular weight 349.09 g/mol. IUPAC: 7-fluoro-10-oxo-6-piperazin-1-yl-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.
Chemical Property Profile of N-Desmethylrufloxacin
Property Insights of N-Desmethylrufloxacin
The XLogP value of -0.8 indicates that N-Desmethylrufloxacin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Desmethylrufloxacin. Following Lipinski's Rule of Five, N-Desmethylrufloxacin 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 N-Desmethylrufloxacin?
The CAS number of N-Desmethylrufloxacin is 101337-87-5.
What is the molecular formula of N-Desmethylrufloxacin?
The molecular formula of N-Desmethylrufloxacin is C16H16FN3O3S.
What is the molecular weight of N-Desmethylrufloxacin?
The molecular weight of N-Desmethylrufloxacin is 349.09 g/mol.
Where can I buy N-Desmethylrufloxacin?
You can request a quote for N-Desmethylrufloxacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethylrufloxacin?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethylrufloxacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.