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CAS 78600-31-4 2-Bromotriphenylamine molecular structure lightbox
CAS RN: 78600-31-4

2-Bromotriphenylamine

Product Availability

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5 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260615 1g In stock Shanghai, Shandong Inquiry
Batchno.20251102 25g In stock Shandong Inquiry
Batchno.20251012 5g In stock Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251220 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250622 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-187975
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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: ≥98%
  • 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 78600-31-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥98% 0 Out of Stock Beijing Inquiry

78600-31-4 / 2-bromo-N,N-diphenylaniline

Standard CAS: 78600-31-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78600-31-4
Multi CAS
No
Molecular Formula
BC18H14Rn
Molecular Weight
324.200000
Exact Mass
323.030960
InChI
InChI=1S/C18H14BrN/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
InChIKey
YPIANBZIVBPMJS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
88.83
TPSA
3.24

LogP / Solubility

WLOGP
5.92
MLOGP
5.22
XLogP3
5.9
Consensus LogP
5.68
Log S (ESOL)
-6.05
Class (ESOL)
Insoluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
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
No
Log Kp (skin permeation)
-0.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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