CAS RN: 53905-19-4
2-(2-phenylvinyl)-4(3H)-quinazolinone
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.20260629 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS53905-19-4
- Purity/Analytical Methods: >99.0%
53905-19-4 / 2-[(E)-2-phenylethenyl]-3H-quinazolin-4-one
Basic Information
CAS
53905-19-4
Multi CAS
No
Molecular Formula
C16H12N2O
Molecular Weight
248.280000
Exact Mass
248.094963
InChI
InChI=1S/C16H12N2O/c19-16-13-8-4-5-9-14(13)17-15(18-16)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18,19)/b11-10+
InChIKey
JDEJRLXMWUYMSS-ZHACJKMWSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
77.73
TPSA
45.75
LogP / Solubility
WLOGP
3.09
MLOGP
2.73
XLogP3
2.8
Consensus LogP
2.87
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-2.04
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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