CAS RN: 6493-58-9
2-(6-methyl-2-quinolyl)-1H-indene-1,3(2H)-dione
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.20251103 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS6493-58-9
- Purity/Analytical Methods: >99.0%
6493-58-9 / 2-(6-methylquinolin-2-yl)indene-1,3-dione
Basic Information
CAS
6493-58-9
Multi CAS
Yes
Molecular Formula
C19H13NO2
Molecular Weight
287.300000
Exact Mass
287.094629
InChI
InChI=1S/C19H13NO2/c1-11-6-8-15-12(10-11)7-9-16(20-15)17-18(21)13-4-2-3-5-14(13)19(17)22/h2-10,17H,1H3
InChIKey
VAIIGTVFJAYEKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
84.32
TPSA
47.03
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
3.7
Consensus LogP
3.56
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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