CAS RN: 1204101-90-5
8-BROMO-6-FLUOROQUINAZOLIN-4(3H)-ONE
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.20250902 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1204101-90-5
- Purity/Analytical Methods: >99.0%
1204101-90-5 / 8-bromo-6-fluoro-3H-quinazolin-4-one
Basic Information
CAS
1204101-90-5
Multi CAS
Yes
Molecular Formula
C8H4BrFN2O
Molecular Weight
243.030000
Exact Mass
241.949100
SMILES
C1=C(C=C(C2=C1C(=O)NC=N2)Br)F
InChI
InChI=1S/C8H4BrFN2O/c9-6-2-4(10)1-5-7(6)11-3-12-8(5)13/h1-3H,(H,11,12,13)
InChIKey
TVGOTLYUGXMXLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.02
TPSA
45.75
LogP / Solubility
WLOGP
1.82
MLOGP
1.61
XLogP3
1.5
Consensus LogP
1.64
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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