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CAS 341-39-9 2′-METHYL-2,2,2-TRIFLUOROACETOPHENONE molecular structure lightbox
CAS RN: 341-39-9

2′-METHYL-2,2,2-TRIFLUOROACETOPHENONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250503 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-140327
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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: ≥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 341-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

341-39-9 / 2,2,2-trifluoro-1-(2-methylphenyl)ethanone

Standard CAS: 341-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
341-39-9
Multi CAS
No
Molecular Formula
C9F3H7O
Molecular Weight
188.150000
Exact Mass
188.044899
InChI
InChI=1S/C9H7F3O/c1-6-4-2-3-5-7(6)8(13)9(10,11)12/h2-5H,1H3
InChIKey
JHQDBQYFKARISA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
41.56
TPSA
17.07

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
3.1
Consensus LogP
2.75
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-1.92

Drug-likeness / Medicinal Chemistry

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

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