CAS RN: 7282-19-1
atanine
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.20250805 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS7282-19-1
- Purity/Analytical Methods: >99.0%
7282-19-1 / 4-methoxy-3-(3-methylbut-2-enyl)-1H-quinolin-2-one
Basic Information
CAS
7282-19-1
Multi CAS
Yes
Molecular Formula
C15H17NO2
Molecular Weight
243.300000
Exact Mass
243.125929
InChI
InChI=1S/C15H17NO2/c1-10(2)8-9-12-14(18-3)11-6-4-5-7-13(11)16-15(12)17/h4-8H,9H2,1-3H3,(H,16,17)
InChIKey
SPIWINZXMDJUPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
74.26
TPSA
42.09
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
3
Consensus LogP
2.91
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly 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)
-2.04
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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