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CAS 18628-03-0 3,3′,6,6′-tetrabromo-9,9′-bicarbazole molecular structure lightbox
CAS RN: 18628-03-0

3,3′,6,6′-tetrabromo-9,9′-bicarbazole

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250605 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS18628-03-0
  • Purity/Analytical Methods: >99.0%
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18628-03-0 / 3,6-dibromo-9-(3,6-dibromocarbazol-9-yl)carbazole

Standard CAS: 18628-03-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18628-03-0
Multi CAS
No
Molecular Formula
C24H12Br4N2
Molecular Weight
648.000000
Exact Mass
647.769300
SMILES
C1=CC2=C(C=C1Br)C3=C(N2N4C5=C(C=C(C=C5)Br)C6=C4C=CC(=C6)Br)C=CC(=C3)Br
InChI
InChI=1S/C24H12Br4N2/c25-13-1-5-21-17(9-13)18-10-14(26)2-6-22(18)29(21)30-23-7-3-15(27)11-19(23)20-12-16(28)4-8-24(20)30/h1-12H
InChIKey
LKMQOHZSJWNVED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
26
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
140.48
TPSA
9.86

LogP / Solubility

WLOGP
9.26
MLOGP
8.21
XLogP3
9.6
Consensus LogP
9.02
Log S (ESOL)
-10.27
Class (ESOL)
Insoluble
Log S (Ali)
-11.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.1

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4

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