CAS RN: 1261852-38-3
3′-Fluoro-2′-Methylpropiophenone
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.20250626 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1261852-38-3
- Purity/Analytical Methods: >99.0%
1261852-38-3 / 1-(3-fluoro-2-methylphenyl)propan-1-one
Basic Information
CAS
1261852-38-3
Multi CAS
No
Molecular Formula
C10H11FO
Molecular Weight
166.190000
Exact Mass
166.079393
SMILES
CCC(=O)C1=C(C(=CC=C1)F)C
InChI
InChI=1S/C10H11FO/c1-3-10(12)8-5-4-6-9(11)7(8)2/h4-6H,3H2,1-2H3
InChIKey
KMCVXXMXOUVNFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
45.76
TPSA
17.07
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
2.5
Consensus LogP
2.54
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
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)
-1.8
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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