CAS RN: 64190-94-9
Zanthobungeanine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260608 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS64190-94-9
- Purity/Analytical Methods: >99.0%
64190-94-9 / 7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
Basic Information
CAS
64190-94-9
Multi CAS
Yes
Molecular Formula
C16H17NO3
Molecular Weight
271.310000
Exact Mass
271.120843
InChI
InChI=1S/C16H17NO3/c1-16(2)9-8-11-14(20-16)10-6-5-7-12(19-4)13(10)17(3)15(11)18/h5-9H,1-4H3
InChIKey
SYNIFQKDJZQOLI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.31
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
79.48
TPSA
40.46
LogP / Solubility
WLOGP
2.73
MLOGP
2.41
XLogP3
2.1
Consensus LogP
2.41
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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