PD 117588
TL;DR: PD 117588 (CAS 99734-97-1) is a chemical compound with molecular formula C20H23F2N3O3 and molecular weight 391.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: tris(tri-p-tolylphosphine)palladium(0), 1-cyclopropyl-7-{3-[(ethylamino)methyl]pyrrolidin-1-yl}-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid, 1-Cyclopropyl-7-(3-((ethylamino)methyl)pyrrolidin-1-yl)-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-Cyclopropyl-7-(3-((ethylamino)methyl)-1-pyrrolidinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
| Molecular Formula | C20H23F2N3O3 |
|---|---|
| Molecular Weight | 391.17 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.17075 |
| Heavy Atoms | 28 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 99734-97-1 |
|---|---|
| SMILES | CCNCC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F |
| InChIKey | WDBGUJBLPRXPIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PD 117588 (CAS 99734-97-1), with molecular formula C20H23F2N3O3 and molecular weight 391.17 g/mol. IUPAC: 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of PD 117588
Property Insights of PD 117588
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PD 117588. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for PD 117588. Following Lipinski's Rule of Five, PD 117588 has 2 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 117588?
The CAS number of PD 117588 is 99734-97-1.
What is the molecular formula of PD 117588?
The molecular formula of PD 117588 is C20H23F2N3O3.
What is the molecular weight of PD 117588?
The molecular weight of PD 117588 is 391.17 g/mol.
Where can I buy PD 117588?
You can request a quote for PD 117588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PD 117588?
Yes, KEHONG BIO provides custom synthesis services for PD 117588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.