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CAS 1198182-98-7 9H-Carbazole-2,7-dicarboxaldehyde, 9-ethyl- molecular structure lightbox
CAS RN: 1198182-98-7

9H-Carbazole-2,7-dicarboxaldehyde, 9-ethyl-

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Batchno.20250421 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1198182-98-7
  • Purity/Analytical Methods: >99.0%
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1198182-98-7 / 9-ethylcarbazole-2,7-dicarbaldehyde

9-Ethyl-9H-carbazole-2,7-dicarbaldehyde | 9-ethylcarbazole-2,7-dicarbaldehyde | SCHEMBL18104492

Standard CAS: 1198182-98-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198182-98-7
Multi CAS
No
Molecular Formula
C16H13NO2
Molecular Weight
251.280000
Exact Mass
251.094629
SMILES
CCN1C2=C(C=CC(=C2)C=O)C3=C1C=C(C=C3)C=O
InChI
InChI=1S/C16H13NO2/c1-2-17-15-7-11(9-18)3-5-13(15)14-6-4-12(10-19)8-16(14)17/h3-10H,2H2,1H3
InChIKey
AUGPTXWXDCTEIS-UHFFFAOYSA-N
Synonyms
9-Ethyl-9H-carbazole-2,7-dicarbaldehyde 9-ethylcarbazole-2,7-dicarbaldehyde SCHEMBL18104492 MFCD34705694 BS-53552

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
13
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
75.89
TPSA
39.07

LogP / Solubility

WLOGP
3.44
MLOGP
3.03
XLogP3
2.6
Consensus LogP
3.02
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly 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)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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