![CAS 371754-85-7 Ethanone, 1-[3-(2-propenyl)phenyl]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/371754-85-7(2).gif)
CAS RN: 371754-85-7
Ethanone, 1-[3-(2-propenyl)phenyl]- (9CI)
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.20250506 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS371754-85-7
- Purity/Analytical Methods: >99.0%
371754-85-7 / 1-(3-prop-2-enylphenyl)ethanone
Basic Information
CAS
371754-85-7
Multi CAS
No
Molecular Formula
C11H12O
Molecular Weight
160.210000
Exact Mass
160.088815
InChI
InChI=1S/C11H12O/c1-3-5-10-6-4-7-11(8-10)9(2)12/h3-4,6-8H,1,5H2,2H3
InChIKey
IGYCJNWHRKISOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
50.35
TPSA
17.07
LogP / Solubility
WLOGP
2.62
MLOGP
2.3
XLogP3
2.7
Consensus LogP
2.54
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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