PD 124816
TL;DR: PD 124816 (CAS 112654-98-5) is a chemical compound with molecular formula C17H18F2N4O3 and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: 5-Amino-7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid, 5-Amino-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 5-amino-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid, 3-Quinolinecarboxylicacid,5-amino-7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-, 3-Quinolinecarboxylic acid, 5-amino-7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-
| Molecular Formula | C17H18F2N4O3 |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.1347 |
| Heavy Atoms | 26 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 112654-98-5 |
|---|---|
| SMILES | C1CC1N2C=C(C(=O)C3=C(C(=C(C(=C32)F)N4CCC(C4)N)F)N)C(=O)O |
| InChIKey | GMCYYXZTVSSTQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PD 124816 (CAS 112654-98-5), with molecular formula C17H18F2N4O3 and molecular weight 364.13 g/mol. IUPAC: 5-amino-7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of PD 124816
Property Insights of PD 124816
The XLogP value of -0.8 indicates that PD 124816 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PD 124816. Following Lipinski's Rule of Five, PD 124816 has 3 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 PD 124816?
The CAS number of PD 124816 is 112654-98-5.
What is the molecular formula of PD 124816?
The molecular formula of PD 124816 is C17H18F2N4O3.
What is the molecular weight of PD 124816?
The molecular weight of PD 124816 is 364.13 g/mol.
Where can I buy PD 124816?
You can request a quote for PD 124816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PD 124816?
Yes, KEHONG BIO provides custom synthesis services for PD 124816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.