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Danofloxacin Mesylate structure
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Danofloxacin Mesylate

TL;DR: Danofloxacin Mesylate (CAS 119478-55-6) is a chemical compound with molecular formula C20H24FN3O6S and molecular weight 453.137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid;methanesulfonic acid

Also Known As: Danofloxacin mesylate, Advocid, Advocin, DANOFLOXACIN MESILATE, Danofloxacin (mesylate)

CAS Number
119478-55-6
Molecular Formula
C20H24FN3O6S
Molecular Weight
453.137 g/mol
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Application Areas

Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (35 patents) Biotechnology (22 patents) Food Additives (17 patents) Heterocyclic Building Blocks (8 patents) Pharmaceutical Intermediates (73 patents)

Technical Specifications

Molecular FormulaC20H24FN3O6S
Molecular Weight453.137 g/mol
XLogP1.57
Topological Polar Surface Area (TPSA)127.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors10
Rotatable Bonds3
Exact Mass453.137 Da
Heavy Atoms31
Complexity771.0
SMILESCN1C[C@@H]2C[C@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F.CS(=O)(=O)O
InChIKeyAPFDJSVKQNSTKF-FXMYHANSSA-N

Chemical Property Profile of Danofloxacin Mesylate

XLogP
1.57
TPSA (Topological Polar Surface Area)
127.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
10
Rotatable Bonds
3
Heavy Atoms
31
Complexity
771.0
Exact Mass
453.137
Monoisotopic Mass
453.137
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Danofloxacin Mesylate

The XLogP value of 1.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Danofloxacin Mesylate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Danofloxacin Mesylate. Following Lipinski's Rule of Five, Danofloxacin Mesylate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Danofloxacin Mesylate?

The CAS number of Danofloxacin Mesylate is 119478-55-6.

What is the molecular formula of Danofloxacin Mesylate?

The molecular formula of Danofloxacin Mesylate is C20H24FN3O6S.

What is the molecular weight of Danofloxacin Mesylate?

The molecular weight of Danofloxacin Mesylate is 453.137 g/mol.

Where can I buy Danofloxacin Mesylate?

You can request a quote for Danofloxacin Mesylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Danofloxacin Mesylate?

Yes, CoreyChem provides custom synthesis services for Danofloxacin Mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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