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CAS 509142-74-9 4-bromo-2-(trifluoromethoxy)phenylacetic acid molecular structure lightbox
CAS RN: 509142-74-9

4-bromo-2-(trifluoromethoxy)phenylacetic acid

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260122 100g Out of stock Inquiry
Batchno.20250113 1g In stock Shenzhen, Wuhan Inquiry
Batchno.20250702 250mg In stock Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250508 25g In stock Shenzhen, Tianjin Inquiry
Batchno.20250526 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-157681
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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 509142-74-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

509142-74-9 / 2-[4-bromo-2-(trifluoromethoxy)phenyl]acetic acid

Standard CAS: 509142-74-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
509142-74-9
Multi CAS
No
Molecular Formula
BC9H6O3Rf3
Molecular Weight
299.040000
Exact Mass
297.945240
InChI
InChI=1S/C9H6BrF3O3/c10-6-2-1-5(3-8(14)15)7(4-6)16-9(11,12)13/h1-2,4H,3H2,(H,14,15)
InChIKey
LZCJHGIGLFQEDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.16
TPSA
46.53

LogP / Solubility

WLOGP
2.97
MLOGP
2.63
XLogP3
3.3
Consensus LogP
2.97
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
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)
-2.43

Drug-likeness / Medicinal Chemistry

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

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