CAS RN: 379228-58-7
5,7-DIFLUOROQUINAZOLIN-4(3H)-ONE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-145366
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
379228-58-7 / 5,7-difluoro-4aH-quinazolin-4-one
Basic Information
CAS
379228-58-7
Multi CAS
Yes
Molecular Formula
C8F2H4N2O
Molecular Weight
182.130000
Exact Mass
182.029169
InChI
InChI=1S/C8H4F2N2O/c9-4-1-5(10)7-6(2-4)11-3-12-8(7)13/h1-3H,(H,11,12,13)
InChIKey
DIQRRDUOMDYXDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.12
H-bond acceptors
2
Molar refractivity
42.81
TPSA
41.79
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
0.4
Consensus LogP
0.97
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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