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CAS 67242-17-5 Bis(2-bromophenyl)amine molecular structure lightbox
CAS RN: 67242-17-5

Bis(2-bromophenyl)amine

  • Product code: SSC-176930
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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: 1g
  • 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 67242-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

67242-17-5 / 4-bromo-N-(4-bromophenyl)aniline

Standard CAS: 67242-17-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67242-17-5
Multi CAS
Yes
Molecular Formula
C12H9BR2N
Molecular Weight
327.010000
Exact Mass
326.908130
InChI
InChI=1S/C12H9Br2N/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,15H
InChIKey
VKVHTZNHLOGHGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.57
TPSA
12.03

LogP / Solubility

WLOGP
4.96
MLOGP
4.38
XLogP3
4.8
Consensus LogP
4.71
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.2

Drug-likeness / Medicinal Chemistry

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

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