CAS RN: 4765-59-7
4(1H)-Quinazolinone, 2-(4-nitrophenyl)-
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.20260223 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4765-59-7
- Purity/Analytical Methods: >99.0%
4765-59-7 / 2-(4-nitrophenyl)-4aH-quinazolin-4-one
Basic Information
CAS
4765-59-7
Multi CAS
Yes
Molecular Formula
C14H9N3O3
Molecular Weight
267.240000
Exact Mass
267.064391
InChI
InChI=1S/C14H9N3O3/c18-14-11-3-1-2-4-12(11)15-13(16-14)9-5-7-10(8-6-9)17(19)20/h1-8H,(H,15,16,18)
InChIKey
PDSXUXCWTDUVSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
73.85
TPSA
84.93
LogP / Solubility
WLOGP
2.06
MLOGP
1.83
XLogP3
2.2
Consensus LogP
2.03
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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- Purity/Analytical method: >99.0%
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