![CAS 676525-77-2 (4,4′-Di-tert-butyl-2,2′-bipyridine)bis[(2-pyridinyl)phenyl]iridium(III) Hexafluorophosphate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d4887-jpgcontextbwfzdgvyfhjvb3r8ndmynzr8aw1hz2uvanblz3xomtkvagzjlzg5mzazndy0mde4mjivrdq4odcuanbnfgvjntlmyju2y2uzyme1mwixyzexzgy3ytk3mde3mte2ythhyjnmmwe4mjewnda0ngfiywyxmjk1yzg5nti5mmq.jpeg)
CAS RN: 676525-77-2
(4,4′-Di-tert-butyl-2,2′-bipyridine)bis[(2-pyridinyl)phenyl]iridium(III) Hexafluorophosphate
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250728 | 50mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-177402
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >97% | 3 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 5g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 10g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Beijing | Inquiry |
676525-77-2 / 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;iridium(3+);bis(2-phenylpyridine);hexafluorophosphate
Basic Information
CAS
676525-77-2
Multi CAS
Yes
Molecular Formula
C40F6H40IPRn4
Molecular Weight
914.000000
Exact Mass
914.252400
InChI
InChI=1S/C18H24N2.2C11H8N.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*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*1-6,8-9H;;/q;3*-1;+3
InChIKey
VCIVELSSYHAWGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
36
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
195.45
TPSA
51.56
LogP / Solubility
WLOGP
13.22
MLOGP
11.72
XLogP3
13.22
Consensus LogP
12.72
Log S (ESOL)
-14.15
Class (ESOL)
Insoluble
Log S (Ali)
-16.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.93
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)
1.09
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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