CAS RN: 73326-98-4

5H-Pyrido[4,3-b]carbazole-5,11(6H)-dione

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  • Product code: starshine_CAS73326-98-4
  • Purity/Analytical Methods: >99.0%
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73326-98-4 / 6H-pyrido[4,3-b]carbazole-5,11-dione

Standard CAS: 73326-98-4 Multi CAS: No

Basic Information

CAS
73326-98-4
Multi CAS
No
Molecular Formula
C15H8N2O2
Molecular Weight
248.240000
Exact Mass
248.058578
InChI
InChI=1S/C15H8N2O2/c18-14-10-7-16-6-5-8(10)15(19)13-12(14)9-3-1-2-4-11(9)17-13/h1-7,17H
InChIKey
KPOPOVJXCUAKLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.4
TPSA
62.82

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.3
Consensus LogP
2.23
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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