CAS RN: 96843-21-9
2′,5′-Diiodo-p-terphenyl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260304 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS96843-21-9
- Purity/Analytical Methods: >99.0%
96843-21-9 / 1,4-diiodo-2,5-diphenylbenzene
Basic Information
CAS
96843-21-9
Multi CAS
No
Molecular Formula
C18H12I2
Molecular Weight
482.100000
Exact Mass
481.902850
InChI
InChI=1S/C18H12I2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h1-12H
InChIKey
DBWNLYZBUNSDRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
2
Molar refractivity
102.75
TPSA
0.0000
LogP / Solubility
WLOGP
6.23
MLOGP
5.52
XLogP3
6.5
Consensus LogP
6.08
Log S (ESOL)
-7.29
Class (ESOL)
Insoluble
Log S (Ali)
-8.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 96847-52-8 (1R,5S)-1-phenyl-3-oxabicyclo[3.1.0]hexan-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/96847-52-8.gif)
