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CAS 124575-63-9 2,2′,7,7′-Tetraformyl-9,9′-spirobifluorene molecular structure lightbox
CAS RN: 124575-63-9

2,2′,7,7′-Tetraformyl-9,9′-spirobifluorene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260309 25mg / 100mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS124575-63-9
  • Purity/Analytical Methods: >99.0%
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124575-63-9 / 9,9'-spirobi[fluorene]-2,2',7,7'-tetracarbaldehyde

Standard CAS: 124575-63-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124575-63-9
Multi CAS
No
Molecular Formula
C29H16O4
Molecular Weight
428.400000
Exact Mass
428.104859
SMILES
C1=CC2=C(C=C1C=O)C3(C4=C2C=CC(=C4)C=O)C5=C(C=CC(=C5)C=O)C6=C3C=C(C=C6)C=O
InChI
InChI=1S/C29H16O4/c30-13-17-1-5-21-22-6-2-18(14-31)10-26(22)29(25(21)9-17)27-11-19(15-32)3-7-23(27)24-8-4-20(16-33)12-28(24)29/h1-16H
InChIKey
LSYPGFOPUQWATH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.03
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
124.29
TPSA
68.28

LogP / Solubility

WLOGP
5.28
MLOGP
4.67
XLogP3
4.2
Consensus LogP
4.72
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-6.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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