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CAS 1911626-20-4 9,9′-Spirobi[9H-fluorene], 2-bromo-2′-phenyl- molecular structure lightbox
CAS RN: 1911626-20-4

9,9′-Spirobi[9H-fluorene], 2-bromo-2′-phenyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250311 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1911626-20-4
  • Purity/Analytical Methods: >99.0%
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1911626-20-4 / 2'-bromo-2-phenyl-9,9'-spirobi[fluorene]

Standard CAS: 1911626-20-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1911626-20-4
Multi CAS
No
Molecular Formula
C31H19Br
Molecular Weight
471.400000
Exact Mass
470.067010
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=CC=CC=C4C35C6=CC=CC=C6C7=C5C=C(C=C7)Br
InChI
InChI=1S/C31H19Br/c32-22-15-17-26-24-11-5-7-13-28(24)31(30(26)19-22)27-12-6-4-10-23(27)25-16-14-21(18-29(25)31)20-8-2-1-3-9-20/h1-19H
InChIKey
ZQAGVQFOHYDZIS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
30
Fraction Csp3
0.03
Rotatable bonds
1
Molar refractivity
135.88
TPSA
0.0000

LogP / Solubility

WLOGP
8.46
MLOGP
7.48
XLogP3
8.7
Consensus LogP
8.21
Log S (ESOL)
-8.72
Class (ESOL)
Insoluble
Log S (Ali)
-9.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.87
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)
0.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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