![CAS 387859-70-3 Tris[2-(4,6-difluorophenyl)pyridinato-C2,N]iridium(III) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/387859-70-3.gif)
CAS RN: 387859-70-3
Tris[2-(4,6-difluorophenyl)pyridinato-C2,N]iridium(III)
Product Availability
Choose a grade to view its available package options.
7 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250625 | 100mg | Out of stock | Inquiry |
| Batchno.20260106 | 10g | Out of stock | Inquiry |
| Batchno.20260402 | 1g | Out of stock | Inquiry |
| Batchno.20250214 | 250mg | Out of stock | Inquiry |
| Batchno.20250729 | 25g | Out of stock | Inquiry |
| Batchno.20260411 | 50mg | Out of stock | Inquiry |
| Batchno.20250622 | 5g | Out of stock | Inquiry |
- Product code: SSC-146407
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
387859-70-3 / tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+)
Basic Information
CAS
387859-70-3
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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