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CAS 897671-74-8 4-(Naphthalenyl)-N-[4-(1-naphthalenyl)phenyl]benzenamine molecular structure lightbox
CAS RN: 897671-74-8

4-(Naphthalenyl)-N-[4-(1-naphthalenyl)phenyl]benzenamine

  • Product code: SSC-201806
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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: 25g
  • 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 897671-74-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

897671-74-8 / 4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline

Standard CAS: 897671-74-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
897671-74-8
Multi CAS
No
Molecular Formula
C32H23N
Molecular Weight
421.500000
Exact Mass
421.183050
InChI
InChI=1S/C32H23N/c1-3-11-29-23(7-1)9-5-13-31(29)25-15-19-27(20-16-25)33-28-21-17-26(18-22-28)32-14-6-10-24-8-2-4-12-30(24)32/h1-22,33H
InChIKey
GHXQNCKAIFMFCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
32
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
142.05
TPSA
12.03

LogP / Solubility

WLOGP
9.07
MLOGP
8.01
XLogP3
9.2
Consensus LogP
8.76
Log S (ESOL)
-8.62
Class (ESOL)
Insoluble
Log S (Ali)
-9.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.41
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)
1.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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