Deschloro-delafloxacin
TL;DR: Deschloro-delafloxacin (CAS 959374-64-2) is a chemical compound with molecular formula C18H13F3N4O4 and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid
Also Known As: Deschloro-delafloxacin, Deschloro Delafloxacin, Delafloxacin Impurity 15, 1-(6-Amino-3,5-difluoro-2-pyridinyl)-6-fluoro-1,4-dihydro-7-(3-hydroxy-1-azetidinyl)-4-oxo-3-quinolinecarboxylic Acid, 1-(6-amino-3,5-difluoro-2-pyridyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxo-quinoline-3-carboxylic acid
| Molecular Formula | C18H13F3N4O4 |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.0889 |
| Heavy Atoms | 29 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 959374-64-2 |
|---|---|
| SMILES | C1C(CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C(=N4)N)F)F)F)O |
| InChIKey | JHBINFALINXDNP-UHFFFAOYSA-N |
Product Overview
Deschloro-delafloxacin (CAS 959374-64-2), with molecular formula C18H13F3N4O4 and molecular weight 406.09 g/mol. IUPAC: 1-(6-amino-3,5-difluoro-2-pyridinyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of Deschloro-delafloxacin
Property Insights of Deschloro-delafloxacin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deschloro-delafloxacin. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Deschloro-delafloxacin. Following Lipinski's Rule of Five, Deschloro-delafloxacin has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deschloro-delafloxacin?
The CAS number of Deschloro-delafloxacin is 959374-64-2.
What is the molecular formula of Deschloro-delafloxacin?
The molecular formula of Deschloro-delafloxacin is C18H13F3N4O4.
What is the molecular weight of Deschloro-delafloxacin?
The molecular weight of Deschloro-delafloxacin is 406.09 g/mol.
Where can I buy Deschloro-delafloxacin?
You can request a quote for Deschloro-delafloxacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deschloro-delafloxacin?
Yes, KEHONG BIO provides custom synthesis services for Deschloro-delafloxacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.