CAS RN: 586-22-1
3-fluoro-4-methoxypropiophenone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250519 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS586-22-1
- Purity/Analytical Methods: >99.0%
586-22-1 / 1-(3-fluoro-4-methoxyphenyl)propan-1-one
Basic Information
CAS
586-22-1
Multi CAS
Yes
Molecular Formula
C10FH11O2
Molecular Weight
182.190000
Exact Mass
182.074308
InChI
InChI=1S/C10H11FO2/c1-3-9(12)7-4-5-10(13-2)8(11)6-7/h4-6H,3H2,1-2H3
InChIKey
SQXQCZIODUUTAD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
47.57
TPSA
26.3
LogP / Solubility
WLOGP
2.43
MLOGP
2.13
XLogP3
2.1
Consensus LogP
2.22
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-2.11
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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- Product Code: starshine_CAS587-14-4
- Purity/Analytical method: >99.0%
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