加雷沙星
TL;DR: 加雷沙星 (CAS 223652-82-2) is a chemical compound with molecular formula C23H20F2N2O4 and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
加雷沙星
1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: Garenoxacin, Ganefloxacin, garenoxacine, garenoxacino, Garenfloxacin
| Molecular Formula | C23H20F2N2O4 |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.1391 |
| Heavy Atoms | 31 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 223652-82-2 |
|---|---|
| SMILES | C[C@@H]1C2=C(CN1)C=C(C=C2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)O)OC(F)F |
| InChIKey | NJDRXTDGYFKORP-LLVKDONJSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
加雷沙星 (CAS 223652-82-2), with molecular formula C23H20F2N2O4 and molecular weight 426.14 g/mol. IUPAC: 1-cyclopropyl-8-(difluoromethoxy)-7-[(1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl]-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 加雷沙星
Property Insights of 加雷沙星
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 加雷沙星. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 加雷沙星. Following Lipinski's Rule of Five, 加雷沙星 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 加雷沙星?
The CAS number of 加雷沙星 is 223652-82-2.
What is the molecular formula of 加雷沙星?
The molecular formula of 加雷沙星 is C23H20F2N2O4.
What is the molecular weight of 加雷沙星?
The molecular weight of 加雷沙星 is 426.14 g/mol.
Where can I buy 加雷沙星?
You can request a quote for 加雷沙星 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 加雷沙星?
Yes, KEHONG BIO provides custom synthesis services for 加雷沙星 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.