CAS RN: 179688-02-9
7-ACETOXY-6-METHOXY-3,4-DIHYDROQUINAZODIN-4-ONE
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.20250102 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS179688-02-9
- Purity/Analytical Methods: >99.0%
179688-02-9 / (6-methoxy-4-oxo-3H-quinazolin-7-yl) acetate
Basic Information
CAS
179688-02-9
Multi CAS
No
Molecular Formula
C11H10N2O4
Molecular Weight
234.210000
Exact Mass
234.064057
SMILES
CC(=O)OC1=C(C=C2C(=C1)N=CNC2=O)OC
InChI
InChI=1S/C11H10N2O4/c1-6(14)17-10-4-8-7(3-9(10)16-2)11(15)13-5-12-8/h3-5H,1-2H3,(H,12,13,15)
InChIKey
UVNGEPOWQCFTDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.22
TPSA
81.28
LogP / Solubility
WLOGP
0.86
MLOGP
0.76
XLogP3
0.4
Consensus LogP
0.67
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54
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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