CAS RN: 56678-60-5
Bis(pyridine)(1,5-cyclooctadiene)iridium(I) hexafluorophosphate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260408 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS56678-60-5
- Purity/Analytical Methods: >99.0%
56678-60-5 / (1Z,5Z)-cycloocta-1,5-diene;iridium;bis(pyridine);hexafluorophosphate
Basic Information
CAS
56678-60-5
Multi CAS
Yes
Molecular Formula
C18F6H22IPRn2
Molecular Weight
603.600000
Exact Mass
604.105400
InChI
InChI=1S/C8H12.2C5H5N.F6P.Ir/c1-2-4-6-8-7-5-3-1;2*1-2-4-6-5-3-1;1-7(2,3,4,5)6;/h1-2,7-8H,3-6H2;2*1-5H;;/q;;;-1;/b2-1-,8-7-;;;;
InChIKey
XNXQBKUWAKKCOM-SUESZSCISA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
98.79
TPSA
25.78
LogP / Solubility
WLOGP
8.22
MLOGP
7.28
XLogP3
8.22
Consensus LogP
7.91
Log S (ESOL)
-9.08
Class (ESOL)
Insoluble
Log S (Ali)
-10.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.4
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)
-0.57
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
2.5
