CAS RN: 486-64-6
VASICINONE
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251121 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS486-64-6
- Purity/Analytical Methods: >99.0%
486-64-6 / 3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Basic Information
CAS
486-64-6
Multi CAS
Yes
Molecular Formula
C11H10N2O2
Molecular Weight
202.210000
Exact Mass
202.074228
InChI
InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2
InChIKey
SDIVYZXRQHWCKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.27
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.58
TPSA
55.12
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.4
Consensus LogP
0.65
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.36
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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