CAS RN: 208777-19-9
Ethanone, 1-(2-fluoro-3-methoxyphenyl)- (9CI)
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.20250401 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS208777-19-9
- Purity/Analytical Methods: >99.0%
208777-19-9 / 1-(2-fluoro-3-methoxyphenyl)ethanone
Basic Information
CAS
208777-19-9
Multi CAS
No
Molecular Formula
C9H9FO2
Molecular Weight
168.160000
Exact Mass
168.058658
SMILES
CC(=O)C1=C(C(=CC=C1)OC)F
InChI
InChI=1S/C9H9FO2/c1-6(11)7-4-3-5-8(12-2)9(7)10/h3-5H,1-2H3
InChIKey
CYWINEAOQMFOBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
42.96
TPSA
26.3
LogP / Solubility
WLOGP
2.04
MLOGP
1.79
XLogP3
1.7
Consensus LogP
1.84
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.3
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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