CAS RN: 535969-23-4
1H-Inden-1-one,2,3-dihydro-7-(1-methylethyl)-(9CI)
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.20260629 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS535969-23-4
- Purity/Analytical Methods: >99.0%
535969-23-4 / 7-propan-2-yl-2,3-dihydroinden-1-one
Basic Information
CAS
535969-23-4
Multi CAS
No
Molecular Formula
C12H14O
Molecular Weight
174.240000
Exact Mass
174.104465
InChI
InChI=1S/C12H14O/c1-8(2)10-5-3-4-9-6-7-11(13)12(9)10/h3-5,8H,6-7H2,1-2H3
InChIKey
OLJLAXHVBJLHAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
53.18
TPSA
17.07
LogP / Solubility
WLOGP
2.94
MLOGP
2.58
XLogP3
2.8
Consensus LogP
2.77
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly 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)
-1.7
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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