CAS RN: 381677-75-4
4-(3-fluorophenyl)dihydro-2H-pyran-2,6(3H)-dione
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.20250613 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS381677-75-4
- Purity/Analytical Methods: >99.0%
381677-75-4 / 4-(3-fluorophenyl)oxane-2,6-dione
Basic Information
CAS
381677-75-4
Multi CAS
No
Molecular Formula
C11FH9O3
Molecular Weight
208.180000
Exact Mass
208.053572
InChI
InChI=1S/C11H9FO3/c12-9-3-1-2-7(4-9)8-5-10(13)15-11(14)6-8/h1-4,8H,5-6H2
InChIKey
FGOGUORRCGNRPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
49.47
TPSA
43.37
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.4
Consensus LogP
1.58
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.73
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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