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CAS 2097371-73-6 Benzenamine, 4-(4-dibenzofuranyl)-N-[4-(1-naphthalenyl)phenyl]- molecular structure lightbox
CAS RN: 2097371-73-6

Benzenamine, 4-(4-dibenzofuranyl)-N-[4-(1-naphthalenyl)phenyl]-

  • Product code: SSC-099543
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2097371-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

2097371-73-6 / N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline

Standard CAS: 2097371-73-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2097371-73-6
Multi CAS
No
Molecular Formula
C34H23NO
Molecular Weight
461.600000
Exact Mass
461.177964
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)NC4=CC=C(C=C4)C5=CC=CC6=C5OC7=CC=CC=C67
InChI
InChI=1S/C34H23NO/c1-2-9-28-23(7-1)8-5-11-29(28)24-15-19-26(20-16-24)35-27-21-17-25(18-22-27)30-12-6-13-32-31-10-3-4-14-33(31)36-34(30)32/h1-22,35H
InChIKey
IKVVKCFJISVVKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
35
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
151.82
TPSA
25.17

LogP / Solubility

WLOGP
9.82
MLOGP
8.67
XLogP3
9.7
Consensus LogP
9.4
Log S (ESOL)
-9.34
Class (ESOL)
Insoluble
Log S (Ali)
-10.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.29
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
Yes
Log Kp (skin permeation)
1.43

Drug-likeness / Medicinal Chemistry

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

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