![CAS 666826-16-0 Bis(1,5-cyclooctadiene)iridium(I)tetrakis[3,5-bis(trifluoromethyl)phenyl]borate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/666826-16-0.gif)
CAS RN: 666826-16-0
Bis(1,5-cyclooctadiene)iridium(I)tetrakis[3,5-bis(trifluoromethyl)phenyl]borate
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251009 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-176367
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
- Available purity: >97%
- Inventory rows with stock: 3
- 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.
666826-16-0 / bis(cycloocta-1,5-diene);iridium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
Basic Information
CAS
666826-16-0
Multi CAS
Yes
Molecular Formula
C48H36BF24IR
Molecular Weight
1271.800000
Exact Mass
1272.215610
InChI
InChI=1S/C32H12BF24.2C8H12.Ir/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;2*1-2-4-6-8-7-5-3-1;/h1-12H;2*1-2,7-8H,3-6H2;/q-1;;;
InChIKey
ZFOUGNAJKPZBPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
74
Aromatic heavy atom count
24
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
25
Molar refractivity
223.57
TPSA
0.0000
LogP / Solubility
WLOGP
16.56
MLOGP
14.7
XLogP3
16.56
Consensus LogP
15.94
Log S (ESOL)
-18.13
Class (ESOL)
Insoluble
Log S (Ali)
-21.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.15
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)
1.28
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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