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CAS 2170534-12-8 N-([1,1′-biphenyl]-2-yl)dibenzo[b,d]thiophen-2-amine molecular structure lightbox
CAS RN: 2170534-12-8

N-([1,1′-biphenyl]-2-yl)dibenzo[b,d]thiophen-2-amine

  • Product code: SSC-104520
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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: ≥95%
  • 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 2170534-12-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

2170534-12-8 / N-(2-phenylphenyl)dibenzothiophen-2-amine

Standard CAS: 2170534-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2170534-12-8
Multi CAS
No
Molecular Formula
C24H17NS
Molecular Weight
351.500000
Exact Mass
351.108171
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2NC3=CC4=C(C=C3)SC5=CC=CC=C54
InChI
InChI=1S/C24H17NS/c1-2-8-17(9-3-1)19-10-4-6-12-22(19)25-18-14-15-24-21(16-18)20-11-5-7-13-23(20)26-24/h1-16,25H
InChIKey
QYGCNAPUMMSDAL-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
114.49
TPSA
12.03

LogP / Solubility

WLOGP
7.47
MLOGP
6.59
XLogP3
7.4
Consensus LogP
7.15
Log S (ESOL)
-7.24
Class (ESOL)
Insoluble
Log S (Ali)
-7.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.5
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)
0.44

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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