CAS RN: 1352717-91-9
8-Bromo-6-fluoro-2-methylquinazolin-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.20251201 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1352717-91-9
- Purity/Analytical Methods: >99.0%
1352717-91-9 / 8-bromo-6-fluoro-2-methyl-3H-quinazolin-4-one
Basic Information
CAS
1352717-91-9
Multi CAS
No
Molecular Formula
C9H6BrFN2O
Molecular Weight
257.060000
Exact Mass
255.964750
SMILES
CC1=NC2=C(C=C(C=C2Br)F)C(=O)N1
InChI
InChI=1S/C9H6BrFN2O/c1-4-12-8-6(9(14)13-4)2-5(11)3-7(8)10/h2-3H,1H3,(H,12,13,14)
InChIKey
JAUJGOMEEXESRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.76
TPSA
45.75
LogP / Solubility
WLOGP
2.13
MLOGP
1.88
XLogP3
1.5
Consensus LogP
1.84
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
Class (SILICOS-IT)
Poorly 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)
-2.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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