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CAS 268733-18-2 4-BROMO-3,5-BIS(TRIFLUOROMETHYL)ANILINE molecular structure lightbox
CAS RN: 268733-18-2

4-BROMO-3,5-BIS(TRIFLUOROMETHYL)ANILINE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250818 1g In stock Inquiry
Batchno.20251120 250mg In stock Inquiry
Batchno.20250607 5g In stock Inquiry
  • Product code: SSC-125238
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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: ＞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 268733-18-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

268733-18-2 / 4-bromo-3,5-bis(trifluoromethyl)aniline

Standard CAS: 268733-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
268733-18-2
Multi CAS
No
Molecular Formula
C8H4BrF6N
Molecular Weight
308.020000
Exact Mass
306.943130
SMILES
C1=C(C=C(C(=C1C(F)(F)F)Br)C(F)(F)F)N
InChI
InChI=1S/C8H4BrF6N/c9-6-4(7(10,11)12)1-3(16)2-5(6)8(13,14)15/h1-2H,16H2
InChIKey
ZMVAVUAHKPGYTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.56
TPSA
26.02

LogP / Solubility

WLOGP
4.07
MLOGP
3.59
XLogP3
3.7
Consensus LogP
3.79
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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