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CAS 1384207-26-4 9-Bromo-7,7-diphenyl-7H-benzo[c]fluorene molecular structure lightbox
CAS RN: 1384207-26-4

9-Bromo-7,7-diphenyl-7H-benzo[c]fluorene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 100mg Out of stock 15 business days Inquiry
  • Product code: ICTB6134
  • Purity/Analytical Methods: >98.0%(GC)
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1384207-26-4 / 9-bromo-7,7-diphenylbenzo[c]fluorene

Standard CAS: 1384207-26-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384207-26-4
Multi CAS
No
Molecular Formula
C29H19Br
Molecular Weight
447.400000
Exact Mass
446.067010
SMILES
C1=CC=C(C=C1)C2(C3=C(C4=C2C=C(C=C4)Br)C5=CC=CC=C5C=C3)C6=CC=CC=C6
InChI
InChI=1S/C29H19Br/c30-23-16-17-25-27(19-23)29(21-10-3-1-4-11-21,22-12-5-2-6-13-22)26-18-15-20-9-7-8-14-24(20)28(25)26/h1-19H
InChIKey
MSEHWLOYJZCVTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
28
Fraction Csp3
0.03
Rotatable bonds
2
Molar refractivity
128.95
TPSA
0.0000

LogP / Solubility

WLOGP
7.97
MLOGP
7.04
XLogP3
8.6
Consensus LogP
7.87
Log S (ESOL)
-8.19
Class (ESOL)
Insoluble
Log S (Ali)
-8.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.42
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)
0.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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