![CAS 69566-95-6 “1-Propanone, 1-[4-(methylsulfonyl)phenyl]- (9CI) Propiophenone, 4′-(methylsulfonyl)- (7CI)” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69566-95-6.gif)
CAS RN: 69566-95-6
“1-Propanone, 1-[4-(methylsulfonyl)phenyl]- (9CI) Propiophenone, 4′-(methylsulfonyl)- (7CI)”
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.20250126 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS69566-95-6
- Purity/Analytical Methods: >99.0%
69566-95-6 / 1-(4-methylsulfonylphenyl)propan-1-one
Basic Information
CAS
69566-95-6
Multi CAS
No
Molecular Formula
C10H12O3S
Molecular Weight
212.270000
Exact Mass
212.050715
InChI
InChI=1S/C10H12O3S/c1-3-10(11)8-4-6-9(7-5-8)14(2,12)13/h4-7H,3H2,1-2H3
InChIKey
RYSJFJGVYRUSBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
54.17
TPSA
51.21
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
1.6
Consensus LogP
1.59
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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