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CAS 1241891-64-4 2′-bromo-10-phenyl-10H-spiro[acridine-9,9′-fluorene] molecular structure lightbox
CAS RN: 1241891-64-4

2′-bromo-10-phenyl-10H-spiro[acridine-9,9′-fluorene]

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260509 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1241891-64-4
  • Purity/Analytical Methods: >99.0%
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1241891-64-4 / 2'-bromo-10-phenylspiro[acridine-9,9'-fluorene]

Standard CAS: 1241891-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1241891-64-4
Multi CAS
No
Molecular Formula
C31H20BrN
Molecular Weight
486.400000
Exact Mass
485.077910
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C4(C5=CC=CC=C5C6=C4C=C(C=C6)Br)C7=CC=CC=C72
InChI
InChI=1S/C31H20BrN/c32-21-18-19-24-23-12-4-5-13-25(23)31(28(24)20-21)26-14-6-8-16-29(26)33(22-10-2-1-3-11-22)30-17-9-7-15-27(30)31/h1-20H
InChIKey
KFRPZFMLHKXSKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
30
Fraction Csp3
0.03
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
139.69
TPSA
3.24

LogP / Solubility

WLOGP
8.6
MLOGP
7.6
XLogP3
8.7
Consensus LogP
8.3
Log S (ESOL)
-8.88
Class (ESOL)
Insoluble
Log S (Ali)
-9.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.08
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)
0.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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