CAS RN: 1318770-38-5
3-acetyl-7-fluoro-2H-chromen-2-one
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.20260325 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1318770-38-5
- Purity/Analytical Methods: >99.0%
1318770-38-5 / 3-acetyl-7-fluorochromen-2-one
Basic Information
CAS
1318770-38-5
Multi CAS
No
Molecular Formula
C11H7FO3
Molecular Weight
206.170000
Exact Mass
206.037922
SMILES
CC(=O)C1=CC2=C(C=C(C=C2)F)OC1=O
InChI
InChI=1S/C11H7FO3/c1-6(13)9-4-7-2-3-8(12)5-10(7)15-11(9)14/h2-5H,1H3
InChIKey
FWNPARQZOFDGOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
52.45
TPSA
47.28
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
1.9
Consensus LogP
1.97
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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