CAS RN: 24122-31-4
3-(4-chlorophenyl)quinazolin-4-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.20260105 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS24122-31-4
- Purity/Analytical Methods: >99.0%
24122-31-4 / 3-(4-chlorophenyl)quinazolin-4-one
Basic Information
CAS
24122-31-4
Multi CAS
No
Molecular Formula
C14H9ClN2O
Molecular Weight
256.680000
Exact Mass
256.040341
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H9ClN2O/c15-10-5-7-11(8-6-10)17-9-16-13-4-2-1-3-12(13)14(17)18/h1-9H
InChIKey
ZPLOOBDMVCHIPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
72.35
TPSA
34.89
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
2.9
Consensus LogP
2.87
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
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)
-2.13
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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