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CAS 886498-07-3 3-BROMO-5-(TRIFLUOROMETHOXY)BENZALDEHYDE molecular structure lightbox
CAS RN: 886498-07-3

3-BROMO-5-(TRIFLUOROMETHOXY)BENZALDEHYDE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250322 100g In stock Inquiry
Batchno.20250606 1g In stock Inquiry
Batchno.20250524 25g In stock Inquiry
Batchno.20260513 5g In stock Inquiry
  • Product code: SSC-199998
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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 886498-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

886498-07-3 / 3-bromo-5-(trifluoromethoxy)benzaldehyde

Standard CAS: 886498-07-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886498-07-3
Multi CAS
No
Molecular Formula
BC8H4O2Rf3
Molecular Weight
269.010000
Exact Mass
267.934680
InChI
InChI=1S/C8H4BrF3O2/c9-6-1-5(4-13)2-7(3-6)14-8(10,11)12/h1-4H
InChIKey
ALIVUZVZCLVJQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
46.21
TPSA
26.3

LogP / Solubility

WLOGP
3.16
MLOGP
2.79
XLogP3
3.3
Consensus LogP
3.08
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

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

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