![CAS 808142-88-3 (4,4′-Di-tert-butyl-2,2′-bipyridine-κ2N1,N1′)[bis[5-fluoro-2-(5-methyl-2-pyridinyl-κN)phenyl-κC1]]iridium Hexafluorophosphate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b6258-jpgcontextbwfzdgvyfhjvb3r8mjuzndn8aw1hz2uvanblz3xomdqvagfmlzkxntq4mjgxnzmzndivqjyyntguanbnfgizmzkxnmy4nwyxztzjntjhowixzdy1yznimgmzzmy2odiyogfinge4y2y0mjy0ngnmnja3ytlhotm3zgyxnzk.jpeg)
CAS RN: 808142-88-3
(4,4′-Di-tert-butyl-2,2′-bipyridine-κ2N1,N1′)[bis[5-fluoro-2-(5-methyl-2-pyridinyl-κN)phenyl-κC1]]iridium Hexafluorophosphate
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250612 | 100mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20250218 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250705 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260403 | 50mg | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
| Batchno.20250627 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-189464
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, 1g
- 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.
808142-88-3 / 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine);iridium(3+);hexafluorophosphate
Basic Information
CAS
808142-88-3
Multi CAS
Yes
Molecular Formula
C42F8H42IPRn4
Molecular Weight
978.000000
Exact Mass
978.264860
InChI
InChI=1S/C18H24N2.2C12H9FN.F6P.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-9-2-7-12(14-8-9)10-3-5-11(13)6-4-10;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*2-3,5-8H,1H3;;/q;3*-1;+3
InChIKey
SNWREQGMGVVZPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
56
Aromatic heavy atom count
36
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
204.84
TPSA
51.56
LogP / Solubility
WLOGP
14.11
MLOGP
12.51
XLogP3
14.11
Consensus LogP
13.58
Log S (ESOL)
-15.07
Class (ESOL)
Insoluble
Log S (Ali)
-17.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.09
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)
1.33
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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