Rufloxacin sulfoxide
TL;DR: Rufloxacin sulfoxide (CAS 101337-89-7) is a chemical compound with molecular formula C17H18FN3O4S and molecular weight 379.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-fluoro-6-(4-methylpiperazin-1-yl)-4,10-dioxo-4λ4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Also Known As: Rufloxacin sulfoxide, Rufloxacinsulfoxide, Rufloxacin 1-oxide, 7-fluoro-6-(4-methylpiperazin-1-yl)-4,10-dioxo-4lambda4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid, 11-carboxy-7-fluoro-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraen-4-ium-4-olate
| Molecular Formula | C17H18FN3O4S |
|---|---|
| Molecular Weight | 379.10 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.10022 |
| Heavy Atoms | 26 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 101337-89-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C3C4=C2S(=O)CCN4C=C(C3=O)C(=O)O)F |
| InChIKey | MZXCIMXSSOUZGC-UHFFFAOYSA-N |
Product Overview
Rufloxacin sulfoxide (CAS 101337-89-7), with molecular formula C17H18FN3O4S and molecular weight 379.10 g/mol. IUPAC: 7-fluoro-6-(4-methylpiperazin-1-yl)-4,10-dioxo-4λ4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.
Chemical Property Profile of Rufloxacin sulfoxide
Property Insights of Rufloxacin sulfoxide
The XLogP value of -1.7 indicates that Rufloxacin sulfoxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Rufloxacin sulfoxide. Following Lipinski's Rule of Five, Rufloxacin sulfoxide has 1 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 Rufloxacin sulfoxide?
The CAS number of Rufloxacin sulfoxide is 101337-89-7.
What is the molecular formula of Rufloxacin sulfoxide?
The molecular formula of Rufloxacin sulfoxide is C17H18FN3O4S.
What is the molecular weight of Rufloxacin sulfoxide?
The molecular weight of Rufloxacin sulfoxide is 379.10 g/mol.
Where can I buy Rufloxacin sulfoxide?
You can request a quote for Rufloxacin sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rufloxacin sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Rufloxacin sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.