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CAS 519-23-3 ELLIPTICINE molecular structure lightbox
CAS RN: 519-23-3

ELLIPTICINE

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6 package records5 with current stock2 grade groups
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Batchno.20250104 10mg Out of stock Inquiry
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  • Product code: starshine_CAS519-23-3
  • Purity/Analytical Methods: >99.0%
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519-23-3 / 5,11-dimethyl-6H-pyrido[4,3-b]carbazole

Standard CAS: 519-23-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
519-23-3
Multi CAS
Yes
Molecular Formula
C17H14N2
Molecular Weight
246.310000
Exact Mass
246.115698
InChI
InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3
InChIKey
CTSPAMFJBXKSOY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
17
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
80.58
TPSA
28.68

LogP / Solubility

WLOGP
4.49
MLOGP
3.95
XLogP3
4.8
Consensus LogP
4.41
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
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)
-1.04

Drug-likeness / Medicinal Chemistry

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

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