![CAS 870987-63-6 (4,4′-Di-tert-butyl-2,2′-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-κN)phenyl-κC]iridium(III) Hexafluorophosphate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/d5817-jpgcontextbwfzdgvyfhjvb3r8mju2nzv8aw1hz2uvanblz3xoowyvadu1lzkxmty4mjyymzkwmdyvrdu4mtcuanbnfgjizdfmogewyzfmzgeynwq0ywu1zdc0zmu5n2mznzdhymu2mzq1mdriztcxmziyztgym2q1mjmwndvjyju4yze.jpeg)
CAS RN: 870987-63-6
(4,4′-Di-tert-butyl-2,2′-bipyridine)bis[3,5-difluoro-2-[5-trifluoromethyl-2-pyridinyl-κN)phenyl-κC]iridium(III) Hexafluorophosphate
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-196624
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, 1g, 5g, 0.25g, 10g, 25g
- Available purity: >98%
- Inventory rows with stock: 6
- 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 | >98% | 5 In Stock | Shenzhen | Inquiry |
| 1g | >98% | 5 In Stock | Shanghai | Inquiry |
| 5g | >98% | 5 In Stock | Shenzhen | Inquiry |
| 0.25g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 2 In Stock | Hong Kong | Inquiry |
| 25g | >98% | 2 In Stock | Shanghai | Inquiry |
870987-63-6 / 4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium(3+);hexafluorophosphate
Basic Information
CAS
870987-63-6
Multi CAS
Yes
Molecular Formula
C42F16H34IPRn4
Molecular Weight
1121.900000
Exact Mass
1122.189480
InChI
InChI=1S/C18H24N2.2C12H5F5N.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*13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*1-2,4-6H;;/q;3*-1;+3
InChIKey
XFAXYKCDJPDUTA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
64
Aromatic heavy atom count
36
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
205.29
TPSA
51.56
LogP / Solubility
WLOGP
15.81
MLOGP
14.02
XLogP3
15.81
Consensus LogP
15.21
Log S (ESOL)
-16.97
Class (ESOL)
Insoluble
Log S (Ali)
-20.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-20.43
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)
1.66
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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![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)
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