CAS RN: 934008-48-7
1,3-bis(2,6-diisopropyl-4-iodophenyl)imidazolium chloride
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250116 | 100mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINB887558
934008-48-7 / 1,3-bis[4-iodo-2,6-di(propan-2-yl)phenyl]imidazol-1-ium chloride
Basic Information
CAS
934008-48-7
Multi CAS
Yes
Molecular Formula
C28H35Li2N2
Molecular Weight
676.800000
Exact Mass
676.057820
InChI
InChI=1S/C27H35I2N2.ClH/c1-16(2)22-11-20(28)12-23(17(3)4)26(22)30-9-10-31(15-30)27-24(18(5)6)13-21(29)14-25(27)19(7)8;/h9-19H,1-8H3;1H/q+1;/p-1
InChIKey
GHSOWBAVIYBYJA-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
17
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
149.09
TPSA
8.81
LogP / Solubility
WLOGP
5.46
MLOGP
4.86
XLogP3
5.46
Consensus LogP
5.26
Log S (ESOL)
-7.47
Class (ESOL)
Insoluble
Log S (Ali)
-9.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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