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CAS 1290039-85-8 3-Dibenzofuranamine, N-1[1,1′-biphenyl]-4-yl molecular structure lightbox
CAS RN: 1290039-85-8

3-Dibenzofuranamine, N-1[1,1′-biphenyl]-4-yl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250413 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1290039-85-8
  • Purity/Analytical Methods: >99.0%
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1290039-85-8 / N-(4-phenylphenyl)dibenzofuran-3-amine

Standard CAS: 1290039-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1290039-85-8
Multi CAS
No
Molecular Formula
C24H17NO
Molecular Weight
335.400000
Exact Mass
335.131014
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NC3=CC4=C(C=C3)C5=CC=CC=C5O4
InChI
InChI=1S/C24H17NO/c1-2-6-17(7-3-1)18-10-12-19(13-11-18)25-20-14-15-22-21-8-4-5-9-23(21)26-24(22)16-20/h1-16,25H
InChIKey
SZOFSHPSDMYXKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
108.88
TPSA
25.17

LogP / Solubility

WLOGP
7
MLOGP
6.17
XLogP3
6.8
Consensus LogP
6.66
Log S (ESOL)
-6.84
Class (ESOL)
Insoluble
Log S (Ali)
-7.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.01
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
No
Log Kp (skin permeation)
0.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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