CAS RN: 7455-77-8
4(3H)-Quinazolinone, 2-(4-chlorophenyl)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250805 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS7455-77-8
- Purity/Analytical Methods: >99.0%
7455-77-8 / 2-(4-chlorophenyl)-4aH-quinazolin-4-one
Basic Information
CAS
7455-77-8
Multi CAS
Yes
Molecular Formula
C14H9CLN2O
Molecular Weight
256.680000
Exact Mass
256.040341
InChI
InChI=1S/C14H9ClN2O/c15-10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H,16,17,18)
InChIKey
AKHUKZJZNGHOJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
72.2
TPSA
41.79
LogP / Solubility
WLOGP
2.81
MLOGP
2.48
XLogP3
3
Consensus LogP
2.76
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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