CAS RN: 54135-60-3
2,2′-METHYLENEBIS(1,3-CYCLOHEXANEDIONE)
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.20251017 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS54135-60-3
- Purity/Analytical Methods: >99.0%
54135-60-3 / 2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione
Basic Information
CAS
54135-60-3
Multi CAS
Yes
Molecular Formula
C13H16O4
Molecular Weight
236.260000
Exact Mass
236.104859
InChI
InChI=1S/C13H16O4/c14-10-3-1-4-11(15)8(10)7-9-12(16)5-2-6-13(9)17/h8-9H,1-7H2
InChIKey
ILUMEPMGPCKGHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.69
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
59.33
TPSA
68.28
LogP / Solubility
WLOGP
1.25
MLOGP
1.11
XLogP3
0.2
Consensus LogP
0.85
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 54141-72-9
- Product Code: starshine_CAS54141-72-9
- Purity/Analytical method: >99.0%
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