Desfluoro 5-hydroxy orbifloxacin
TL;DR: Desfluoro 5-hydroxy orbifloxacin (CAS 126458-22-8) is a chemical compound with molecular formula C19H21F2N3O4 and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid
Also Known As: Desfluoro 5-hydroxy orbifloxacin, Orbifloxacin EP Impurity D, Orbifloxacin impurity D [EP], ORBIFLOXACIN IMPURITY D [EP IMPURITY], 1-Cyclopropyl-7-(cis-3,5-dimethylpiperazin-1-yl)-6,8-difluoro-5-hydroxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C19H21F2N3O4 |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 2.205 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.15002 |
| Heavy Atoms | 28 |
| Complexity | 1038.1212 |
Chemical Identifiers
| CAS Number | 126458-22-8 |
|---|---|
| SMILES | C[C@@H]1CN(C[C@@H](N1)C)C2=C(C3=C(C(=C2F)O)C(=O)C(=CN3C4CC4)C(=O)O)F |
Product Overview
Desfluoro 5-hydroxy orbifloxacin (CAS 126458-22-8), with molecular formula C19H21F2N3O4 and molecular weight 393.15 g/mol. IUPAC: 1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-5-hydroxy-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of Desfluoro 5-hydroxy orbifloxacin
Property Insights of Desfluoro 5-hydroxy orbifloxacin
The XLogP value of 2.205 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desfluoro 5-hydroxy orbifloxacin. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Desfluoro 5-hydroxy orbifloxacin. Following Lipinski's Rule of Five, Desfluoro 5-hydroxy orbifloxacin has 3 hydrogen bond donor(s) and 5 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 Desfluoro 5-hydroxy orbifloxacin?
The CAS number of Desfluoro 5-hydroxy orbifloxacin is 126458-22-8.
What is the molecular formula of Desfluoro 5-hydroxy orbifloxacin?
The molecular formula of Desfluoro 5-hydroxy orbifloxacin is C19H21F2N3O4.
What is the molecular weight of Desfluoro 5-hydroxy orbifloxacin?
The molecular weight of Desfluoro 5-hydroxy orbifloxacin is 393.15 g/mol.
Where can I buy Desfluoro 5-hydroxy orbifloxacin?
You can request a quote for Desfluoro 5-hydroxy orbifloxacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desfluoro 5-hydroxy orbifloxacin?
Yes, KEHONG BIO provides custom synthesis services for Desfluoro 5-hydroxy orbifloxacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.