CAS RN: 6933-50-2

4-Methoxy-9H-carbazole

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  • Product code: starshine_CAS6933-50-2
  • Purity/Analytical Methods: >99.0%
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6933-50-2 / 4-methoxy-9H-carbazole

Standard CAS: 6933-50-2 Multi CAS: No

Basic Information

CAS
6933-50-2
Multi CAS
No
Molecular Formula
C13H11NO
Molecular Weight
197.230000
Exact Mass
197.084064
InChI
InChI=1S/C13H11NO/c1-15-12-8-4-7-11-13(12)9-5-2-3-6-10(9)14-11/h2-8,14H,1H3
InChIKey
LWPBIJIJIJTNOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
13
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.36
TPSA
25.02

LogP / Solubility

WLOGP
3.33
MLOGP
2.93
XLogP3
3.8
Consensus LogP
3.35
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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