CAS RN: 474948-23-7
fac-Ir(3-tBu-ppy)3
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-154450
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 | Shenzhen | Inquiry |
474948-23-7 / tris(2-(3-tert-butylbenzene-6-id-1-yl)pyridine);iridium(3+)
Basic Information
CAS
474948-23-7
Multi CAS
Yes
Molecular Formula
C45H48IRn3
Molecular Weight
823.100000
Exact Mass
823.347750
InChI
InChI=1S/3C15H16N.Ir/c3*1-15(2,3)13-8-6-7-12(11-13)14-9-4-5-10-16-14;/h3*4-6,8-11H,1-3H3;/q3*-1;+3
InChIKey
SHKJZNUTHOXNND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Aromatic heavy atom count
36
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
201.63
TPSA
38.67
LogP / Solubility
WLOGP
11.54
MLOGP
10.23
XLogP3
11.54
Consensus LogP
11.1
Log S (ESOL)
-12.56
Class (ESOL)
Insoluble
Log S (Ali)
-14.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.95
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)
0.45
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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