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CAS 81090-53-1 4,4′-Dibromotriphenylamine (purified by sublimation) molecular structure lightbox
CAS RN: 81090-53-1

4,4′-Dibromotriphenylamine (purified by sublimation)

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250308 100g In stock Inquiry
Batchno.20250107 10g In stock Inquiry
Batchno.20250126 1g In stock Inquiry
Batchno.20251029 25g In stock Inquiry
Batchno.20250308 5g In stock Inquiry
  • Product code: SSC-189649
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 1g, 10g, 5g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 81090-53-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 3 In Stock Shanghai Inquiry
1g ≥98% 2 In Stock Hong Kong Inquiry
10g ≥98% 2 In Stock Shanghai Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

81090-53-1 / 4-bromo-N-(4-bromophenyl)-N-phenylaniline

Standard CAS: 81090-53-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81090-53-1
Multi CAS
No
Molecular Formula
C18H13BR2N
Molecular Weight
403.100000
Exact Mass
402.939430
InChI
InChI=1S/C18H13Br2N/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H
InChIKey
KIGVOJUDEQXKII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
96.53
TPSA
3.24

LogP / Solubility

WLOGP
6.68
MLOGP
5.9
XLogP3
7.1
Consensus LogP
6.56
Log S (ESOL)
-6.98
Class (ESOL)
Insoluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.19
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
2.5

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