7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
TL;DR: 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid (CAS 178174-19-1) is a chemical compound with molecular formula C19H20F3N3O4 and molecular weight 411.14 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-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
Also Known As: 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid, 3-Quinolinecarboxylicacid,7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-1,4-dihydro-4-oxo-,(S)- (9CI), 7-((S)-3-Amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-8-difluoromethoxy-1,4-dihydro-5-methyl-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C19H20F3N3O4 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 2.62092 |
| Topological Polar Surface Area | 97.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1406 |
| Heavy Atoms | 29 |
| Complexity | 1065.3162 |
Chemical Identifiers
| CAS Number | 178174-19-1 |
|---|---|
| SMILES | CC1=C2C(=C(C(=C1F)N3CCC(C3)N)OC(F)F)N(C=C(C2=O)C(=O)O)C4CC4 |
Product Overview
7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid (CAS 178174-19-1), with molecular formula C19H20F3N3O4 and molecular weight 411.14 g/mol. IUPAC: 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
Property Insights of 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid
The XLogP value of 2.62092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid. The TPSA of 97.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid has 2 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 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid?
The CAS number of 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid is 178174-19-1.
What is the molecular formula of 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid?
The molecular formula of 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid is C19H20F3N3O4.
What is the molecular weight of 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid?
The molecular weight of 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid is 411.14 g/mol.
Where can I buy 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid?
You can request a quote for 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-5-methyl-4-oxoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.