CAS RN: 86838-54-2
2,2,5,5-Tetramethylcyclohexane-1,4-dione
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.20251102 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS86838-54-2
- Purity/Analytical Methods: >99.0%
86838-54-2 / 2,2,5,5-tetramethylcyclohexane-1,4-dione
Basic Information
CAS
86838-54-2
Multi CAS
No
Molecular Formula
C10H16O2
Molecular Weight
168.230000
Exact Mass
168.115030
InChI
InChI=1S/C10H16O2/c1-9(2)5-8(12)10(3,4)6-7(9)11/h5-6H2,1-4H3
InChIKey
OTQZSPVHJYLKOL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.8
H-bond acceptors
2
Molar refractivity
46.81
TPSA
34.14
LogP / Solubility
WLOGP
1.97
MLOGP
1.73
XLogP3
1.2
Consensus LogP
1.63
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.35
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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