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CAS 1429194-04-6 N,N-Bis(4-bromophenyl)-4-fluoroaniline molecular structure lightbox
CAS RN: 1429194-04-6

N,N-Bis(4-bromophenyl)-4-fluoroaniline

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251224 1g In stock Inquiry
Batchno.20251112 25g In stock Inquiry
Batchno.20250804 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 100g In stock Shanghai Inquiry
Batchno.20250813 1g In stock Shanghai Inquiry
Batchno.20250726 25g In stock Shanghai Inquiry
Batchno.20250328 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-054201
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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: ≥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 1429194-04-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

1429194-04-6 / N,N-bis(4-bromophenyl)-4-fluoroaniline

Standard CAS: 1429194-04-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1429194-04-6
Multi CAS
No
Molecular Formula
C18H12Br2FN
Molecular Weight
421.100000
Exact Mass
420.930000
SMILES
C1=CC(=CC=C1N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)F
InChI
InChI=1S/C18H12Br2FN/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
InChIKey
LQSPHAXAQUUQDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
96.48
TPSA
3.24

LogP / Solubility

WLOGP
6.82
MLOGP
6.03
XLogP3
6.6
Consensus LogP
6.48
Log S (ESOL)
-7.16
Class (ESOL)
Insoluble
Log S (Ali)
-7.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.42
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)
-0.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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