![CAS 849723-04-2 Di-μ-chlorotetrakis[3,5-difluoro-2-(5-fluoro-2-pyridinyl-κN)phenyl-κC]diiridium, min. 98% (mixture of isomers) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/849723-04-2.gif)
CAS RN: 849723-04-2
Di-μ-chlorotetrakis[3,5-difluoro-2-(5-fluoro-2-pyridinyl-κN)phenyl-κC]diiridium, min. 98% (mixture of isomers)
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.20250211 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS849723-04-2
- Purity/Analytical Methods: >99.0%
849723-04-2 / bis(chloroiridium(2+));tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)-5-fluoropyridine)
Basic Information
CAS
849723-04-2
Multi CAS
Yes
Molecular Formula
C44H20CL2F12IR2N4
Molecular Weight
1288.000000
Exact Mass
1286.010860
InChI
InChI=1S/4C11H5F3N.2ClH.2Ir/c4*12-7-1-3-9(10(14)5-7)11-4-2-8(13)6-15-11;;;;/h4*1-2,4-6H;2*1H;;/q4*-1;;;2*+3/p-2
InChIKey
UVPYLIYAPWLOTI-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
64
Aromatic heavy atom count
48
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
205.24
TPSA
51.56
LogP / Solubility
WLOGP
13.24
MLOGP
11.78
XLogP3
13.24
Consensus LogP
12.75
Log S (ESOL)
-16.46
Class (ESOL)
Insoluble
Log S (Ali)
-19.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.5
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)
-1.18
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
6.5
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