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CAS 17244-28-9 2-Acetyl-4(3H)-quinazolinone molecular structure lightbox
CAS RN: 17244-28-9

2-Acetyl-4(3H)-quinazolinone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250523 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS17244-28-9
  • Purity/Analytical Methods: >99.0%
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17244-28-9 / 2-acetyl-3H-quinazolin-4-one

Standard CAS: 17244-28-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17244-28-9
Multi CAS
No
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
SMILES
CC(=O)C1=NC2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C10H8N2O2/c1-6(13)9-11-8-5-3-2-4-7(8)10(14)12-9/h2-5H,1H3,(H,11,12,14)
InChIKey
WBCWEMVXRHQIBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.37
TPSA
62.82

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
0.6
Consensus LogP
0.91
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
Class (SILICOS-IT)
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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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