![CAS 808142-80-5 [4,4′-Di-t-butyl-2,2′-bipyridine][bis[5-(t-butyl)-2-[4-(t-butyl)-2-pyridinyl-kN]phenyl-kC]iridium(III) hexafluorophosphate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/808142-80-5.png)
CAS RN: 808142-80-5
[4,4′-Di-t-butyl-2,2′-bipyridine][bis[5-(t-butyl)-2-[4-(t-butyl)-2-pyridinyl-kN]phenyl-kC]iridium(III) hexafluorophosphate
Product Availability
Choose a grade to view its available package options.
8 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250802 | 100mg | In stock | Shanghai, Chengdu | Inquiry | |
| Batchno.20251024 | 10g | Out of stock | Inquiry | ||
| Batchno.20260403 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250304 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20260305 | 25g | Out of stock | Inquiry | ||
| Batchno.20251007 | 50mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250506 | 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260621 | 5g | Out of stock | Inquiry |
- Product code: SSC-189463
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
808142-80-5 / bis(4-tert-butyl-2-(4-tert-butylbenzene-6-id-1-yl)pyridine);4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;iridium(3+);hexafluorophosphate
Basic Information
CAS
808142-80-5
Multi CAS
Yes
Molecular Formula
C56F6H72IPRn4
Molecular Weight
1138.400000
Exact Mass
1138.502800
InChI
InChI=1S/2C19H24N.C18H24N2.F6P.Ir/c2*1-18(2,3)15-9-7-14(8-10-15)17-13-16(11-12-20-17)19(4,5)6;1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;1-7(2,3,4,5)6;/h2*7,9-13H,1-6H3;7-12H,1-6H3;;/q2*-1;;-1;+3
InChIKey
GGYZHJGJZOVCKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
68
Aromatic heavy atom count
36
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
270.25
TPSA
51.56
LogP / Solubility
WLOGP
18.41
MLOGP
16.31
XLogP3
18.41
Consensus LogP
17.71
Log S (ESOL)
-18.69
Class (ESOL)
Insoluble
Log S (Ali)
-22.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.7
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)
3.4
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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