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CAS 2436-66-0 4(3H)-Quinazolinone, 3-methyl- molecular structure lightbox
CAS RN: 2436-66-0

4(3H)-Quinazolinone, 3-methyl-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250128 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2436-66-0
  • Purity/Analytical Methods: >99.0%
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2436-66-0 / 3-methylquinazolin-4-one

Standard CAS: 2436-66-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2436-66-0
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
SMILES
CN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C9H8N2O/c1-11-6-10-8-5-3-2-4-7(8)9(11)12/h2-6H,1H3
InChIKey
FJVAQPINJBFBLI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
3
Molar refractivity
46.98
TPSA
34.89

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.7
Consensus LogP
0.82
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
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)
-3.03

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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