3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride
TL;DR: 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride (CAS 109142-57-6) is a chemical compound with molecular formula C17H18ClF2N3O4 and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-6,8-difluoro-7-(4-hydroxypiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride
Also Known As: 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride, 1-Cyclopropyl-6,8-difluoro-1,4-dihydro-7-(4-hydroxypiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid hydrochloride, 1-Cyclopropyl-6,8-difluoro-7-(4-hydroxypiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid--hydrogen chloride (1/1), 1-cyclopropyl-6,8-difluoro-7-(4-hydroxypiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid hydrochloride, RefChem:282536
| Molecular Formula | C17H18ClF2N3O4 |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 2.2458 |
| Topological Polar Surface Area | 86.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.0954 |
| Heavy Atoms | 27 |
| Complexity | 969.03046 |
Chemical Identifiers
| CAS Number | 109142-57-6 |
|---|---|
| SMILES | C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCN(CC4)O)F)C(=O)O.Cl |
Product Overview
3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride (CAS 109142-57-6), with molecular formula C17H18ClF2N3O4 and molecular weight 401.10 g/mol. IUPAC: 1-cyclopropyl-6,8-difluoro-7-(4-hydroxypiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride.
Chemical Property Profile of 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride
Property Insights of 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride
The XLogP value of 2.2458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride. The TPSA of 86.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride. Following Lipinski's Rule of Five, 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride 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 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride?
The CAS number of 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride is 109142-57-6.
What is the molecular formula of 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride?
The molecular formula of 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride is C17H18ClF2N3O4.
What is the molecular weight of 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride?
The molecular weight of 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride is 401.10 g/mol.
Where can I buy 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride?
You can request a quote for 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinolinecarboxylic acid, 1,4-dihydro-1-cyclopropyl-6,8-difluoro-7-(4-hydroxy-1-piperazinyl)-4-oxo-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.