CAS RN: 25115-80-4
2′,2,2,6′-TETRAMETHYLPROPIOPHENONE
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.20250729 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS25115-80-4
- Purity/Analytical Methods: >99.0%
25115-80-4 / 1-(2,6-dimethylphenyl)-2,2-dimethylpropan-1-one
Basic Information
CAS
25115-80-4
Multi CAS
No
Molecular Formula
C13H18O
Molecular Weight
190.280000
Exact Mass
190.135765
SMILES
CC1=C(C(=CC=C1)C)C(=O)C(C)(C)C
InChI
InChI=1S/C13H18O/c1-9-7-6-8-10(2)11(9)12(14)13(3,4)5/h6-8H,1-5H3
InChIKey
FYRAKYLYXNTHDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
59.7
TPSA
17.07
LogP / Solubility
WLOGP
3.53
MLOGP
3.11
XLogP3
3.7
Consensus LogP
3.45
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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)
-1.37
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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