CAS RN: 924296-17-3

9H-INDENO[1,2-B]PYRAZINE-2,3-DICARBONITRILE, 9-[(2-PROPEN-1-YLOXY)IMINO]-

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  • Product code: starshine_CAS924296-17-3
  • Purity/Analytical Methods: >99.0%
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924296-17-3 / (9E)-9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

Standard CAS: 924296-17-3 Multi CAS: Yes

Basic Information

CAS
924296-17-3
Multi CAS
Yes
Molecular Formula
C16H9N5O
Molecular Weight
287.280000
Exact Mass
287.080710
InChI
InChI=1S/C16H9N5O/c1-2-7-22-21-15-11-6-4-3-5-10(11)14-16(15)20-13(9-18)12(8-17)19-14/h2-6H,1,7H2/b21-15+
InChIKey
XLOXSIKLUAMDGU-RCCKNPSSSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
78.69
TPSA
94.95

LogP / Solubility

WLOGP
2.16
MLOGP
1.91
XLogP3
2.6
Consensus LogP
2.22
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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