1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
TL;DR: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid (CAS 372977-22-5) is a chemical compound with molecular formula C25H22F2N4O4 and molecular weight 480.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6,8-difluoro-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
Also Known As: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid, 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(1-pyrrolidinyl)-1,4-dihydro-3-quinolinecarboxylic acid, 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6,8-difluoro-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid
| Molecular Formula | C25H22F2N4O4 |
|---|---|
| Molecular Weight | 480.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 480.16092 |
| Heavy Atoms | 35 |
| Complexity | 973.0 |
Chemical Identifiers
| CAS Number | 372977-22-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)F)N5CCCC5)F)C(=O)O |
| InChIKey | GAZZUUNPZBSNRV-UHFFFAOYSA-N |
Product Overview
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid (CAS 372977-22-5), with molecular formula C25H22F2N4O4 and molecular weight 480.16 g/mol. IUPAC: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6,8-difluoro-4-oxo-7-pyrrolidin-1-ylquinoline-3-carboxylic acid.
Chemical Property Profile of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
Property Insights of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
The XLogP value of 4.6 indicates that 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid has 1 hydrogen bond donor(s) and 9 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 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid?
The CAS number of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid is 372977-22-5.
What is the molecular formula of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid?
The molecular formula of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid is C25H22F2N4O4.
What is the molecular weight of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid?
The molecular weight of 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid is 480.16 g/mol.
Where can I buy 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid?
You can request a quote for 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-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 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.