CAS RN: 943605-85-4
6-Bromo-7-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.20260128 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS943605-85-4
- Purity/Analytical Methods: >99.0%
943605-85-4 / 6-bromo-7-methyl-4aH-quinazolin-4-one
Basic Information
CAS
943605-85-4
Multi CAS
Yes
Molecular Formula
BC9H7ORn2
Molecular Weight
239.070000
Exact Mass
237.974180
InChI
InChI=1S/C9H7BrN2O/c1-5-2-8-6(3-7(5)10)9(13)12-4-11-8/h2-4,6H,1H3
InChIKey
PHJQJRQXZJBSRK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
55.19
TPSA
41.79
LogP / Solubility
WLOGP
1.85
MLOGP
1.63
XLogP3
1.1
Consensus LogP
1.53
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
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
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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