CAS RN: 196194-86-2
7-(2-methoxyethoxy)quinazolin-4(1H)-one(WXC04766)
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.20250619 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS196194-86-2
- Purity/Analytical Methods: >99.0%
196194-86-2 / 7-(2-methoxyethoxy)-3H-quinazolin-4-one
Basic Information
CAS
196194-86-2
Multi CAS
No
Molecular Formula
C11H12N2O3
Molecular Weight
220.220000
Exact Mass
220.084792
SMILES
COCCOC1=CC2=C(C=C1)C(=O)NC=N2
InChI
InChI=1S/C11H12N2O3/c1-15-4-5-16-8-2-3-9-10(6-8)12-7-13-11(9)14/h2-3,6-7H,4-5H2,1H3,(H,12,13,14)
InChIKey
OLSHOJQWBHGLMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.73
TPSA
64.21
LogP / Solubility
WLOGP
0.95
MLOGP
0.84
XLogP3
0.5
Consensus LogP
0.76
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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