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CAS 845526-91-2 3-Bromo-4′,4”-dimethyltriphenylamine molecular structure lightbox
CAS RN: 845526-91-2

3-Bromo-4′,4”-dimethyltriphenylamine

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 100mg In stock Shanghai Inquiry
Batchno.20260313 10g In stock Shanghai Inquiry
Batchno.20260618 1g In stock Shanghai Inquiry
Batchno.20260428 250mg In stock Shanghai Inquiry
Batchno.20260130 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250328 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-192076
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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: 10g
  • 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 845526-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

845526-91-2 / 3-bromo-N,N-bis(4-methylphenyl)aniline

Standard CAS: 845526-91-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
845526-91-2
Multi CAS
No
Molecular Formula
BC20H18Rn
Molecular Weight
352.300000
Exact Mass
351.062260
InChI
InChI=1S/C20H18BrN/c1-15-6-10-18(11-7-15)22(19-12-8-16(2)9-13-19)20-5-3-4-17(21)14-20/h3-14H,1-2H3
InChIKey
LBLFZUNRAGUAFR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
98.3
TPSA
3.24

LogP / Solubility

WLOGP
6.54
MLOGP
5.77
XLogP3
6.6
Consensus LogP
6.3
Log S (ESOL)
-6.55
Class (ESOL)
Insoluble
Log S (Ali)
-7.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.73
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)
-0.23

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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