CAS RN: 4765-56-4
2-Benzylquinazolin-4(1H)-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.20250704 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4765-56-4
- Purity/Analytical Methods: >99.0%
4765-56-4 / 2-benzyl-4aH-quinazolin-4-one
Basic Information
CAS
4765-56-4
Multi CAS
Yes
Molecular Formula
C15H12N2O
Molecular Weight
236.270000
Exact Mass
236.094963
InChI
InChI=1S/C15H12N2O/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChIKey
ZDUVLDCZFKNYHH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
71.79
TPSA
41.79
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2.3
Consensus LogP
2.24
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.49
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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