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CAS 741293-42-5 3,6-Dibromo-9-(4-tert-butylphenyl)-9H-carbazole molecular structure lightbox
CAS RN: 741293-42-5

3,6-Dibromo-9-(4-tert-butylphenyl)-9H-carbazole

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250325 1g In stock Inquiry
Batchno.20250415 250mg In stock Inquiry
Batchno.20250621 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260420 200mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTD5000
  • Purity/Analytical Methods: >98.0%(HPLC)(N)
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741293-42-5 / 3,6-dibromo-9-(4-tert-butylphenyl)carbazole

Standard CAS: 741293-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
741293-42-5
Multi CAS
No
Molecular Formula
C22H19BR2N
Molecular Weight
457.200000
Exact Mass
456.986380
InChI
InChI=1S/C22H19Br2N/c1-22(2,3)14-4-8-17(9-5-14)25-20-10-6-15(23)12-18(20)19-13-16(24)7-11-21(19)25/h4-13H,1-3H3
InChIKey
JIWBCHGVZITSFJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
19
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
114.88
TPSA
4.93

LogP / Solubility

WLOGP
7.61
MLOGP
6.72
XLogP3
8.1
Consensus LogP
7.48
Log S (ESOL)
-7.96
Class (ESOL)
Insoluble
Log S (Ali)
-8.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.07
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)
-0.11

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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