![CAS 562824-22-0 (OC-6-21)-Tris[3,5-difluoro-2-(2-pyridinyl-κN)phenyl-κC]iridium molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/562824-22-0.gif)
CAS RN: 562824-22-0
(OC-6-21)-Tris[3,5-difluoro-2-(2-pyridinyl-κN)phenyl-κC]iridium
Product Availability
Choose a grade to view its available package options.
6 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251208 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250520 | 1g | Out of stock | Inquiry | ||
| Batchno.20250107 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250908 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250730 | 25mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20260504 | 50mg | In stock | Shenzhen, Tianjin | Inquiry |
- Product code: starshine_CAS562824-22-0
- Purity/Analytical Methods: >99.0%
562824-22-0 / tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+)
Basic Information
CAS
562824-22-0
Multi CAS
Yes
Molecular Formula
C33F6H18IRn3
Molecular Weight
762.700000
Exact Mass
763.103420
InChI
InChI=1S/3C11H6F2N.Ir/c3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;/h3*1-4,6-7H;/q3*-1;+3
InChIKey
GJHHESUUYZNNGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
36
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
145.27
TPSA
38.67
LogP / Solubility
WLOGP
8.48
MLOGP
7.53
XLogP3
8.48
Consensus LogP
8.16
Log S (ESOL)
-10.33
Class (ESOL)
Insoluble
Log S (Ali)
-11.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.01
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.35
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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