difluoroquinolone
TL;DR: difluoroquinolone (CAS 99734-98-2) is a chemical compound with molecular formula C17H17F2N3O3 and molecular weight 349.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: difluoroquinolone, PD 117596, 3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-, PD 117596-2, 7-(3-Aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C17H17F2N3O3 |
|---|---|
| Molecular Weight | 349.12 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.1238 |
| Heavy Atoms | 25 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 99734-98-2 |
|---|---|
| SMILES | C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)N)F)C(=O)O |
| InChIKey | UHBXZNXCIZHGFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
difluoroquinolone (CAS 99734-98-2), with molecular formula C17H17F2N3O3 and molecular weight 349.12 g/mol. IUPAC: 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of difluoroquinolone
Property Insights of difluoroquinolone
The XLogP value of -1.0 indicates that difluoroquinolone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for difluoroquinolone. Following Lipinski's Rule of Five, difluoroquinolone 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 difluoroquinolone?
The CAS number of difluoroquinolone is 99734-98-2.
What is the molecular formula of difluoroquinolone?
The molecular formula of difluoroquinolone is C17H17F2N3O3.
What is the molecular weight of difluoroquinolone?
The molecular weight of difluoroquinolone is 349.12 g/mol.
Where can I buy difluoroquinolone?
You can request a quote for difluoroquinolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for difluoroquinolone?
Yes, KEHONG BIO provides custom synthesis services for difluoroquinolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.