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CAS RN: 924296-39-9
7-Chloro-9-oxo-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrile
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10 package records7 with current stock2 grade groups
- Product code: starshine_CAS924296-39-9
- Purity/Analytical Methods: >99.0%
924296-39-9 / 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
Basic Information
CAS
924296-39-9
Multi CAS
No
Molecular Formula
C13H3CLN4O
Molecular Weight
266.640000
Exact Mass
265.999538
InChI
InChI=1S/C13H3ClN4O/c14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12/h1-3H
InChIKey
BIGPXXAUSQLTQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
H-bond acceptors
5
Molar refractivity
65.34
TPSA
90.43
LogP / Solubility
WLOGP
2.08
MLOGP
1.84
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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