CAS RN: 35028-14-9
2′,3′-DIMETHYLPROPIOPHENONE
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.20260630 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS35028-14-9
- Purity/Analytical Methods: >99.0%
35028-14-9 / 1-(2,3-dimethylphenyl)propan-1-one
Basic Information
CAS
35028-14-9
Multi CAS
No
Molecular Formula
C11H14O
Molecular Weight
162.230000
Exact Mass
162.104465
InChI
InChI=1S/C11H14O/c1-4-11(12)10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3
InChIKey
KTJWVFYKGHSIAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
50.54
TPSA
17.07
LogP / Solubility
WLOGP
2.9
MLOGP
2.54
XLogP3
2.8
Consensus LogP
2.75
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.36
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)
-1.65
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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