CAS RN: 131609-60-4
5-propylindoline-2,3-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.20250319 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS131609-60-4
- Purity/Analytical Methods: >99.0%
131609-60-4 / 5-propyl-1H-indole-2,3-dione
Basic Information
CAS
131609-60-4
Multi CAS
No
Molecular Formula
C11H11NO2
Molecular Weight
189.210000
Exact Mass
189.078979
SMILES
CCCC1=CC2=C(C=C1)NC(=O)C2=O
InChI
InChI=1S/C11H11NO2/c1-2-3-7-4-5-9-8(6-7)10(13)11(14)12-9/h4-6H,2-3H2,1H3,(H,12,13,14)
InChIKey
FBYONXZHXASRNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.4
TPSA
46.17
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
2.2
Consensus LogP
1.84
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately 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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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