CAS RN: 808793-56-8
3-Benzyl-6-hydroxy-7-Methoxyquinazolin-4(3H)-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.20260211 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS808793-56-8
- Purity/Analytical Methods: >99.0%
808793-56-8 / 3-benzyl-6-hydroxy-7-methoxyquinazolin-4-one
Basic Information
CAS
808793-56-8
Multi CAS
Yes
Molecular Formula
C16H14N2O3
Molecular Weight
282.290000
Exact Mass
282.100442
InChI
InChI=1S/C16H14N2O3/c1-21-15-8-13-12(7-14(15)19)16(20)18(10-17-13)9-11-5-3-2-4-6-11/h2-8,10,19H,9H2,1H3
InChIKey
UFEFZQDBNHEFBV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
79.76
TPSA
64.35
LogP / Solubility
WLOGP
2.16
MLOGP
1.91
XLogP3
2
Consensus LogP
2.02
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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