CAS RN: 22430-64-4
4,6-dimethyl-1H-indene
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.20260302 | 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS22430-64-4
- Purity/Analytical Methods: >99.0%
22430-64-4 / 4,6-dimethyl-1H-indene
Basic Information
CAS
22430-64-4
Multi CAS
No
Molecular Formula
C11H12
Molecular Weight
144.210000
Exact Mass
144.093900
SMILES
CC1=CC(=C2C=CCC2=C1)C
InChI
InChI=1S/C11H12/c1-8-6-9(2)11-5-3-4-10(11)7-8/h3,5-7H,4H2,1-2H3
InChIKey
KIEPLAOSYPLFEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.27
Molar refractivity
48.65
TPSA
0.0000
LogP / Solubility
WLOGP
2.87
MLOGP
2.52
XLogP3
3.4
Consensus LogP
2.93
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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