![CAS 2757085-07-5 Iridium(1+), [5,5′-bis(trifluoromethyl)-2,2′-bipyridine-κN1,κN1′]bis[3,5-difluoro-2-(5-methyl-2-pyridinyl-κN)phenyl-κC]-, (OC-6-33)-, hexafluorophosphate(1-) (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2757085-07-5.gif)
CAS RN: 2757085-07-5
Iridium(1+), [5,5′-bis(trifluoromethyl)-2,2′-bipyridine-κN1,κN1′]bis[3,5-difluoro-2-(5-methyl-2-pyridinyl-κN)phenyl-κC]-, (OC-6-33)-, hexafluorophosphate(1-) (1:1)
Product Availability
Choose a grade to view its available package options.
4 package records0 with current stock1 grade group
- Product code: SSC-127266
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: 0.1g
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2757085-07-5 / bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-methylpyridine);iridium(3+);5-(trifluoromethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]pyridine;hexafluorophosphate
Basic Information
CAS
2757085-07-5
Multi CAS
Yes
Molecular Formula
C36F16H22IPRn4
Molecular Weight
1037.700000
Exact Mass
1038.095580
InChI
InChI=1S/C12H6F6N2.2C12H8F2N.F6P.Ir/c13-11(14,15)7-1-3-9(19-5-7)10-4-2-8(6-20-10)12(16,17)18;2*1-8-2-5-12(15-7-8)10-4-3-9(13)6-11(10)14;1-7(2,3,4,5)6;/h1-6H;2*2-3,5-7H,1H3;;/q;3*-1;+3
InChIKey
CXQSROLJYUSNLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
36
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
177.36
TPSA
51.56
LogP / Solubility
WLOGP
13.83
MLOGP
12.27
XLogP3
13.83
Consensus LogP
13.31
Log S (ESOL)
-15.25
Class (ESOL)
Insoluble
Log S (Ali)
-18.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.25
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)
0.77
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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