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CAS 898546-82-2 9-(4-tert-Butylphenyl)-3,6-bis(triphenylsilyl)-9H-carbazole molecular structure lightbox
CAS RN: 898546-82-2

9-(4-tert-Butylphenyl)-3,6-bis(triphenylsilyl)-9H-carbazole

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2 package records0 with current stock2 grade groups
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Batchno.20260528 50mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 50mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS898546-82-2
  • Purity/Analytical Methods: >99.0%
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898546-82-2 / [9-(4-tert-butylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane

Standard CAS: 898546-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
898546-82-2
Multi CAS
No
Molecular Formula
C58H49NSi2
Molecular Weight
816.200000
Exact Mass
815.340354
InChI
InChI=1S/C58H49NSi2/c1-58(2,3)44-34-36-45(37-35-44)59-56-40-38-52(60(46-22-10-4-11-23-46,47-24-12-5-13-25-47)48-26-14-6-15-27-48)42-54(56)55-43-53(39-41-57(55)59)61(49-28-16-7-17-29-49,50-30-18-8-19-31-50)51-32-20-9-21-33-51/h4-43H,1-3H3
InChIKey
WIHKEPSYODOQJR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
55
Fraction Csp3
0.07
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
266.71
TPSA
4.93

LogP / Solubility

WLOGP
8.84
MLOGP
7.85
XLogP3
8.84
Consensus LogP
8.51
Log S (ESOL)
-10.54
Class (ESOL)
Insoluble
Log S (Ali)
-12.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.38
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)
-1.43

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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