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CAS 244126-64-5 5-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid molecular structure lightbox
CAS RN: 244126-64-5

5-(Trifluoromethyl)benzo[b]thiophene-2-carboxylic acid

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260120 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250630 1g In stock Shanghai Inquiry
Batchno.20251028 1g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250327 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20260629 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: SSC-118815
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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: ≥95%
  • 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 244126-64-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

244126-64-5 / 5-(trifluoromethyl)-1-benzothiophene-2-carboxylic acid

Standard CAS: 244126-64-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
244126-64-5
Multi CAS
No
Molecular Formula
C10H5F3O2S
Molecular Weight
246.210000
Exact Mass
245.996235
InChI
InChI=1S/C10H5F3O2S/c11-10(12,13)6-1-2-7-5(3-6)4-8(16-7)9(14)15/h1-4H,(H,14,15)
InChIKey
ROIKYRUNAMGSHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.79
TPSA
37.3

LogP / Solubility

WLOGP
3.62
MLOGP
3.19
XLogP3
3.7
Consensus LogP
3.5
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

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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