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CAS 326-90-9 2-Furoyltrifluoroacetone molecular structure lightbox
CAS RN: 326-90-9

2-Furoyltrifluoroacetone

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 100g In stock Inquiry
Batchno.20260618 1g In stock Inquiry
Batchno.20250527 25g Out of stock Inquiry
Batchno.20250728 500g In stock Inquiry
Batchno.20260430 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250419 1g / 5g / 10g / 50g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-138225
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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: 100g
  • 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 326-90-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

326-90-9 / 4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione

Standard CAS: 326-90-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
326-90-9
Multi CAS
Yes
Molecular Formula
C8F3H5O3
Molecular Weight
206.120000
Exact Mass
206.019079
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
InChIKey
OWLPCALGCHDBCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
38.72
TPSA
47.28

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
1.5
Consensus LogP
1.74
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.57

Drug-likeness / Medicinal Chemistry

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

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