![CAS 379228-59-8 4(3H)-Quinazolinone, 7-fluoro-5-[(tetrahydro-2H-pyran-4-yl)oxy]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/379228-59-8.gif)
CAS RN: 379228-59-8
4(3H)-Quinazolinone, 7-fluoro-5-[(tetrahydro-2H-pyran-4-yl)oxy]-
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.20260512 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS379228-59-8
- Purity/Analytical Methods: >99.0%
379228-59-8 / 7-fluoro-5-(oxan-4-yloxy)-4aH-quinazolin-4-one
Basic Information
CAS
379228-59-8
Multi CAS
Yes
Molecular Formula
C13FH13N2O3
Molecular Weight
264.250000
Exact Mass
264.091020
InChI
InChI=1S/C13H13FN2O3/c14-8-5-10-12(13(17)16-7-15-10)11(6-8)19-9-1-3-18-4-2-9/h5-7,9H,1-4H2,(H,15,16,17)
InChIKey
NSLYYBACQVUVEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
66.62
TPSA
60.25
LogP / Solubility
WLOGP
1.56
MLOGP
1.38
XLogP3
0.7
Consensus LogP
1.21
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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