CAS RN: 26059-80-3
2-CYCLOHEXYL-4(3H)-QUINAZOLINONE
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.20250415 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS26059-80-3
- Purity/Analytical Methods: >99.0%
26059-80-3 / 2-cyclohexyl-4aH-quinazolin-4-one
Basic Information
CAS
26059-80-3
Multi CAS
No
Molecular Formula
C14H16N2O
Molecular Weight
228.290000
Exact Mass
228.126263
SMILES
C1CCC(CC1)C2=NC(=O)C3C=CC=CC3=N2
InChI
InChI=1S/C14H16N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h4-5,8-11H,1-3,6-7H2
InChIKey
JMOIDGOFVCVACF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
68.22
TPSA
41.79
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
2.8
Consensus LogP
2.62
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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