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CAS 2845127-97-9 9-(3-Bromophenyl)-2-chloro-9-phenyl-9H-fluorene molecular structure lightbox
CAS RN: 2845127-97-9

9-(3-Bromophenyl)-2-chloro-9-phenyl-9H-fluorene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250124 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2845127-97-9
  • Purity/Analytical Methods: >99.0%
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2845127-97-9 / 9-(3-bromophenyl)-2-chloro-9-phenylfluorene

Standard CAS: 2845127-97-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2845127-97-9
Multi CAS
No
Molecular Formula
C25H16BRCL
Molecular Weight
431.700000
Exact Mass
430.012390
InChI
InChI=1S/C25H16BrCl/c26-19-10-6-9-18(15-19)25(17-7-2-1-3-8-17)23-12-5-4-11-21(23)22-14-13-20(27)16-24(22)25/h1-16H
InChIKey
VSFWLFCSCDZLCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
2
Molar refractivity
116.46
TPSA
0.0000

LogP / Solubility

WLOGP
7.47
MLOGP
6.6
XLogP3
8
Consensus LogP
7.36
Log S (ESOL)
-7.75
Class (ESOL)
Insoluble
Log S (Ali)
-8.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.9
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)
-0.05

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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