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CAS 1249274-01-8 (4-(TRIFLUOROMETHOXY)PHENYL)ACETONE molecular structure lightbox
CAS RN: 1249274-01-8

(4-(TRIFLUOROMETHOXY)PHENYL)ACETONE

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250817 10g Out of stock Inquiry
Batchno.20251127 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250625 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250125 25g In stock Shenzhen Inquiry
Batchno.20250714 5g Out of stock Inquiry
  • Product code: SSC-029268
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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 1249274-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1249274-01-8 / 1-[4-(trifluoromethoxy)phenyl]propan-2-one

Standard CAS: 1249274-01-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1249274-01-8
Multi CAS
No
Molecular Formula
C10H9F3O2
Molecular Weight
218.170000
Exact Mass
218.055464
SMILES
CC(=O)CC1=CC=C(C=C1)OC(F)(F)F
InChI
InChI=1S/C10H9F3O2/c1-7(14)6-8-2-4-9(5-3-8)15-10(11,12)13/h2-5H,6H2,1H3
InChIKey
LNSGIYHTBZBJHU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
47.51
TPSA
26.3

LogP / Solubility

WLOGP
2.72
MLOGP
2.39
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.12

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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