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CAS 373389-97-0 4-(3,6-dibromo-9H-carbazol-9-yl)benzonitrile molecular structure lightbox
CAS RN: 373389-97-0

4-(3,6-dibromo-9H-carbazol-9-yl)benzonitrile

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250521 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS373389-97-0
  • Purity/Analytical Methods: >99.0%
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373389-97-0 / 4-(3,6-dibromocarbazol-9-yl)benzonitrile

Standard CAS: 373389-97-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
373389-97-0
Multi CAS
Yes
Molecular Formula
C19H10BR2N2
Molecular Weight
426.100000
Exact Mass
425.919020
InChI
InChI=1S/C19H10Br2N2/c20-13-3-7-18-16(9-13)17-10-14(21)4-8-19(17)23(18)15-5-1-12(11-22)2-6-15/h1-10H
InChIKey
HNMJYYKKLWEDGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
100.9
TPSA
28.72

LogP / Solubility

WLOGP
6.18
MLOGP
5.47
XLogP3
6.1
Consensus LogP
5.92
Log S (ESOL)
-6.92
Class (ESOL)
Insoluble
Log S (Ali)
-7.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.68
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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