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CAS 854952-90-2 5,9-Dibromo-7,7-diphenyl-7H-benzo[c]fluorene molecular structure lightbox
CAS RN: 854952-90-2

5,9-Dibromo-7,7-diphenyl-7H-benzo[c]fluorene

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251026 1g In stock Inquiry
Batchno.20250121 250mg In stock Inquiry
Batchno.20260401 50mg In stock Inquiry
Batchno.20250518 5g In stock Inquiry
  • Product code: ICTD5805
  • Purity/Analytical Methods: >97.0%(T)(HPLC)
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854952-90-2 / 5,9-dibromo-7,7-diphenylbenzo[c]fluorene

Standard CAS: 854952-90-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
854952-90-2
Multi CAS
No
Molecular Formula
C29H18BR2
Molecular Weight
526.300000
Exact Mass
525.975480
InChI
InChI=1S/C29H18Br2/c30-21-15-16-24-25(17-21)29(19-9-3-1-4-10-19,20-11-5-2-6-12-20)26-18-27(31)22-13-7-8-14-23(22)28(24)26/h1-18H
InChIKey
DQOKACQQFORURI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
28
Fraction Csp3
0.03
Rotatable bonds
2
Molar refractivity
136.65
TPSA
0.0000

LogP / Solubility

WLOGP
8.73
MLOGP
7.72
XLogP3
9.3
Consensus LogP
8.58
Log S (ESOL)
-9.14
Class (ESOL)
Insoluble
Log S (Ali)
-10.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.56
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)
0.27

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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