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CAS 2845126-53-4 2-Bromo-9-(4′-(tert-butyl)-[1,1′-biphenyl]-3-yl)-9-phenyl-9H-fluorene molecular structure lightbox
CAS RN: 2845126-53-4

2-Bromo-9-(4′-(tert-butyl)-[1,1′-biphenyl]-3-yl)-9-phenyl-9H-fluorene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2845126-53-4
  • Purity/Analytical Methods: >99.0%
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2845126-53-4 / 2-bromo-9-[3-(4-tert-butylphenyl)phenyl]-9-phenylfluorene

Standard CAS: 2845126-53-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2845126-53-4
Multi CAS
No
Molecular Formula
C35H29BR
Molecular Weight
529.500000
Exact Mass
528.145260
InChI
InChI=1S/C35H29Br/c1-34(2,3)26-18-16-24(17-19-26)25-10-9-13-28(22-25)35(27-11-5-4-6-12-27)32-15-8-7-14-30(32)31-21-20-29(36)23-33(31)35/h4-23H,1-3H3
InChIKey
PLYIHNSLHMPASK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
30
Fraction Csp3
0.14
Rotatable bonds
3
Molar refractivity
155.58
TPSA
0.0000

LogP / Solubility

WLOGP
9.78
MLOGP
8.64
XLogP3
10.7
Consensus LogP
9.71
Log S (ESOL)
-9.7
Class (ESOL)
Insoluble
Log S (Ali)
-10.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.58
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)
0.99

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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