PD 126592
TL;DR: PD 126592 (CAS 151895-28-2) is a chemical compound with molecular formula C20H18F2N4O3 and molecular weight 400.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-6,8-difluoro-7-(3-imidazol-1-ylpyrrolidin-1-yl)-4-oxoquinoline-3-carboxylic acid
Also Known As: PD 126592, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-(3-(1H-imidazol-1-yl)-1-pyrrolidinyl)-4-oxo-, 1-Cyclopropyl-6,8-difluoro-7-[3-(1H-imidazol-1-yl)pyrrolidin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-cyclopropyl-6,8-difluoro-7-(3-imidazol-1-ylpyrrolidin-1-yl)-4-oxo-quinoline-3-carboxylic acid, 1-cyclopropyl-6,8-difluoro-7-(3-imidazol-1-ylpyrrolidin-1-yl)-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C20H18F2N4O3 |
|---|---|
| Molecular Weight | 400.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.1347 |
| Heavy Atoms | 29 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 151895-28-2 |
|---|---|
| SMILES | C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)N5C=CN=C5)F)C(=O)O |
| InChIKey | PZBDLMNIPIXQQN-UHFFFAOYSA-N |
Product Overview
PD 126592 (CAS 151895-28-2), with molecular formula C20H18F2N4O3 and molecular weight 400.13 g/mol. IUPAC: 1-cyclopropyl-6,8-difluoro-7-(3-imidazol-1-ylpyrrolidin-1-yl)-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of PD 126592
Property Insights of PD 126592
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PD 126592. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for PD 126592. Following Lipinski's Rule of Five, PD 126592 has 1 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 PD 126592?
The CAS number of PD 126592 is 151895-28-2.
What is the molecular formula of PD 126592?
The molecular formula of PD 126592 is C20H18F2N4O3.
What is the molecular weight of PD 126592?
The molecular weight of PD 126592 is 400.13 g/mol.
Where can I buy PD 126592?
You can request a quote for PD 126592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PD 126592?
Yes, KEHONG BIO provides custom synthesis services for PD 126592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.