CAS RN: 51131-85-2

5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol

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  • Product code: starshine_CAS51131-85-2
  • Purity/Analytical Methods: >99.0%
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51131-85-2 / 5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol

Standard CAS: 51131-85-2 Multi CAS: No

Basic Information

CAS
51131-85-2
Multi CAS
No
Molecular Formula
C17H14N2O
Molecular Weight
262.300000
Exact Mass
262.110613
InChI
InChI=1S/C17H14N2O/c1-9-14-8-18-6-5-12(14)10(2)17-16(9)13-7-11(20)3-4-15(13)19-17/h3-8,19-20H,1-2H3
InChIKey
QZTWUDDGLIDXSE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
17
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
82.24
TPSA
48.91

LogP / Solubility

WLOGP
4.19
MLOGP
3.7
XLogP3
4.4
Consensus LogP
4.1
Log S (ESOL)
-4.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34

Drug-likeness / Medicinal Chemistry

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

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