CAS RN: 7012-88-6
7-CHLORO-2-METHYL-1H-QUINAZOLIN-4-ONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251026 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 15 business days | Inquiry |
- Product code: starshine_CAS7012-88-6
- Purity/Analytical Methods: >99.0%
7012-88-6 / 7-chloro-2-methyl-4aH-quinazolin-4-one
Basic Information
CAS
7012-88-6
Multi CAS
Yes
Molecular Formula
C9H7CLN2O
Molecular Weight
194.620000
Exact Mass
194.024691
InChI
InChI=1S/C9H7ClN2O/c1-5-11-8-4-6(10)2-3-7(8)9(13)12-5/h2-4,7H,1H3
InChIKey
YEZFJTRPENKDJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.22
H-bond acceptors
2
Molar refractivity
52.12
TPSA
41.79
LogP / Solubility
WLOGP
1.69
MLOGP
1.49
XLogP3
1.1
Consensus LogP
1.43
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.7
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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