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CAS 20355-42-4 1,4,5,8-Tetramethyl-9H-carbazole molecular structure lightbox
CAS RN: 20355-42-4

1,4,5,8-Tetramethyl-9H-carbazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250830 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: LINT888632
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20355-42-4 / 1,4,5,8-tetramethyl-9H-carbazole

Standard CAS: 20355-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20355-42-4
Multi CAS
No
Molecular Formula
C16H17N
Molecular Weight
223.310000
Exact Mass
223.136100
SMILES
CC1=C2C3=C(C=CC(=C3NC2=C(C=C1)C)C)C
InChI
InChI=1S/C16H17N/c1-9-5-7-11(3)15-13(9)14-10(2)6-8-12(4)16(14)17-15/h5-8,17H,1-4H3
InChIKey
YTGDSGWFUREMHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.25
H-bond donors
1
Molar refractivity
74.75
TPSA
15.79

LogP / Solubility

WLOGP
4.55
MLOGP
4.01
XLogP3
4.8
Consensus LogP
4.45
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
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)
-0.85

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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