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CAS 47823-88-1 4,4′-[9H-Fluoren-9-ylidenebis(4,1-phenyleneoxy)]bisbenzenamine molecular structure lightbox
CAS RN: 47823-88-1

4,4′-[9H-Fluoren-9-ylidenebis(4,1-phenyleneoxy)]bisbenzenamine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250601 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS47823-88-1
  • Purity/Analytical Methods: >99.0%
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47823-88-1 / 4-[4-[9-[4-(4-aminophenoxy)phenyl]fluoren-9-yl]phenoxy]aniline

Standard CAS: 47823-88-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
47823-88-1
Multi CAS
No
Molecular Formula
C37H28N2O2
Molecular Weight
532.600000
Exact Mass
532.215078
InChI
InChI=1S/C37H28N2O2/c38-27-13-21-31(22-14-27)40-29-17-9-25(10-18-29)37(35-7-3-1-5-33(35)34-6-2-4-8-36(34)37)26-11-19-30(20-12-26)41-32-23-15-28(39)16-24-32/h1-24H,38-39H2
InChIKey
AUPIFOPXTAGGSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
36
Fraction Csp3
0.03
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
165.6
TPSA
70.5

LogP / Solubility

WLOGP
8.8
MLOGP
7.78
XLogP3
8.4
Consensus LogP
8.33
Log S (ESOL)
-8.94
Class (ESOL)
Insoluble
Log S (Ali)
-10.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.28

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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