Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium
TL;DR: Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium (CAS 713079-03-9) is a chemical compound with molecular formula C28H20FN3O4 and molecular weight 481.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-[(3S)-3-aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-2(15),3,5,7,9,11,13,17(25),18,20,23-undecaene-23-carboxylic acid
Also Known As: Ir(dpm)PQ2, dionate)iridium(III), FQA-TS, NCI60_039435, J3.352.173A
| Molecular Formula | C28H20FN3O4 |
|---|---|
| Molecular Weight | 481.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 96.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 481.1438 |
| Heavy Atoms | 36 |
| Complexity | 959.0 |
Chemical Identifiers
| CAS Number | 713079-03-9 |
|---|---|
| SMILES | C1CN(C[C@H]1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=C6C=CC7=CC=CC=C7C6=C5)F |
| InChIKey | QYQUMHWYIJBNPE-INIZCTEOSA-N |
Product Overview
Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium (CAS 713079-03-9), with molecular formula C28H20FN3O4 and molecular weight 481.14 g/mol. IUPAC: 18-[(3S)-3-aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.07,12.021,25]pentacosa-2(15),3,5,7,9,11,13,17(25),18,20,23-undecaene-23-carboxylic acid.
Chemical Property Profile of Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium
Property Insights of Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium. The TPSA of 96.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium. Following Lipinski's Rule of Five, Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium 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 Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium?
The CAS number of Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium is 713079-03-9.
What is the molecular formula of Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium?
The molecular formula of Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium is C28H20FN3O4.
What is the molecular weight of Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium?
The molecular weight of Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium is 481.14 g/mol.
Where can I buy Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium?
You can request a quote for Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-(2-quinolinyl)phenyl)(2,2,6,6-tetramethyl-3,5-heptanedionato)iridium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.