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CAS 1778649-23-2 3-Iodo-9,9′-spirobi[fluorene] molecular structure lightbox
CAS RN: 1778649-23-2

3-Iodo-9,9′-spirobi[fluorene]

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 100mg Out of stock Inquiry
Batchno.20260419 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250209 1g Out of stock Inquiry
Batchno.20250610 250mg Out of stock Inquiry
  • Product code: starshine_CAS1778649-23-2
  • Purity/Analytical Methods: >99.0%
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1778649-23-2 / 3-iodo-9,9'-spirobi[fluorene]

Standard CAS: 1778649-23-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1778649-23-2
Multi CAS
No
Molecular Formula
C25H15I
Molecular Weight
442.300000
Exact Mass
442.021850
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=C(C=C(C=C5)I)C6=CC=CC=C46
InChI
InChI=1S/C25H15I/c26-16-13-14-24-20(15-16)19-9-3-6-12-23(19)25(24)21-10-4-1-7-17(21)18-8-2-5-11-22(18)25/h1-15H
InChIKey
PQTCKGGCBAXLBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
24
Fraction Csp3
0.04
Molar refractivity
115.46
TPSA
0.0000

LogP / Solubility

WLOGP
6.63
MLOGP
5.87
XLogP3
7
Consensus LogP
6.5
Log S (ESOL)
-7.45
Class (ESOL)
Insoluble
Log S (Ali)
-7.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.04
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)
-0.71

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
5

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