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CAS 2237969-71-8 3,3′-dibromo-9,9′-bicarbazole molecular structure lightbox
CAS RN: 2237969-71-8

3,3′-dibromo-9,9′-bicarbazole

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3 package records0 with current stock1 grade group
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Batchno.20250429 100mg Out of stock Inquiry
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  • Product code: LIND913887
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2237969-71-8 / 3-bromo-9-(3-bromocarbazol-9-yl)carbazole

Standard CAS: 2237969-71-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2237969-71-8
Multi CAS
No
Molecular Formula
C24H14Br2N2
Molecular Weight
490.200000
Exact Mass
489.950320
SMILES
C1=CC=C2C(=C1)C3=C(N2N4C5=C(C=C(C=C5)Br)C6=CC=CC=C64)C=CC(=C3)Br
InChI
InChI=1S/C24H14Br2N2/c25-15-9-11-23-19(13-15)17-5-1-3-7-21(17)27(23)28-22-8-4-2-6-18(22)20-14-16(26)10-12-24(20)28/h1-14H
InChIKey
VQZHOMQLOVGXCC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
26
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
125.08
TPSA
9.86

LogP / Solubility

WLOGP
7.74
MLOGP
6.84
XLogP3
8.2
Consensus LogP
7.59
Log S (ESOL)
-8.38
Class (ESOL)
Insoluble
Log S (Ali)
-9.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.39
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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