![CAS 40114-84-9 9H-Indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 9-oxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/40114-84-9.gif)
CAS RN: 40114-84-9
9H-Indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 9-oxo-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251208 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS40114-84-9
- Purity/Analytical Methods: >99.0%
40114-84-9 / 9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
Basic Information
CAS
40114-84-9
Multi CAS
Yes
Molecular Formula
C13H4N4O
Molecular Weight
232.200000
Exact Mass
232.038511
InChI
InChI=1S/C13H4N4O/c14-5-9-10(6-15)17-12-11(16-9)7-3-1-2-4-8(7)13(12)18/h1-4H
InChIKey
HUWWIHVYVDAXCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
H-bond acceptors
5
Molar refractivity
60.33
TPSA
90.43
LogP / Solubility
WLOGP
1.43
MLOGP
1.26
XLogP3
1.4
Consensus LogP
1.36
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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