CAS RN: 666837-93-0
SU 9516
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251225 | 1mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS666837-93-0
- Purity/Analytical Methods: >99.0%
666837-93-0 / (3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one
Basic Information
CAS
666837-93-0
Multi CAS
Yes
Molecular Formula
C13H11N3O2
Molecular Weight
241.240000
Exact Mass
241.085127
InChI
InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
InChIKey
QNUKRWAIZMBVCU-WCIBSUBMSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.08
TPSA
67.01
LogP / Solubility
WLOGP
1.91
MLOGP
1.69
XLogP3
1
Consensus LogP
1.53
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83
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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