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CAS 326-06-7 4,4,4-Trifluoro-1-phenyl-1,3-butanedione molecular structure lightbox
CAS RN: 326-06-7

4,4,4-Trifluoro-1-phenyl-1,3-butanedione

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260208 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong, Chongqing 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250524 1g In stock Shanghai Inquiry
  • Product code: SSC-138215
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 10g, 5g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 326-06-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 3 In Stock Beijing Inquiry
10g ≥97% 2 In Stock Beijing Inquiry
5g ≥97% 1 In Stock Shenzhen Inquiry
100g ≥97% 1 In Stock Shenzhen Inquiry

326-06-7 / 4,4,4-trifluoro-1-phenylbutane-1,3-dione

Standard CAS: 326-06-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
326-06-7
Multi CAS
Yes
Molecular Formula
C10F3H7O2
Molecular Weight
216.160000
Exact Mass
216.039814
InChI
InChI=1S/C10H7F3O2/c11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
VVXLFFIFNVKFBD-UHFFFAOYSA-N

Physical Properties

Physical Description
Off-white crystalline solid; mp = 38-40 deg C
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
46.45
TPSA
34.14

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
2.6
Consensus LogP
2.37
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.41
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)
-2.34

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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