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CAS 2050948-19-9 9H-Fluoren-2-amine, 3-bromo-9,9-diphenyl- molecular structure lightbox
CAS RN: 2050948-19-9

9H-Fluoren-2-amine, 3-bromo-9,9-diphenyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250119 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2050948-19-9
  • Purity/Analytical Methods: >99.0%
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2050948-19-9 / 3-bromo-9,9-diphenylfluoren-2-amine

Standard CAS: 2050948-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2050948-19-9
Multi CAS
No
Molecular Formula
C25H18BrN
Molecular Weight
412.300000
Exact Mass
411.062260
SMILES
C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC(=C(C=C42)N)Br)C5=CC=CC=C5
InChI
InChI=1S/C25H18BrN/c26-23-15-20-19-13-7-8-14-21(19)25(22(20)16-24(23)27,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16H,27H2
InChIKey
YLXSTYDETZLIGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
115.86
TPSA
26.02

LogP / Solubility

WLOGP
6.39
MLOGP
5.65
XLogP3
6.7
Consensus LogP
6.25
Log S (ESOL)
-6.95
Class (ESOL)
Insoluble
Log S (Ali)
-7.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.89
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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