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CAS 582-65-0 4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)BUTANE-1,3-DIONE molecular structure lightbox
CAS RN: 582-65-0

4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)BUTANE-1,3-DIONE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251014 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250813 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250417 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20260326 5g In stock Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-166449
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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 582-65-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Shenzhen Inquiry

582-65-0 / 1,1,1-trifluoro-4-(4-fluorophenyl)-4-hydroxybut-3-en-2-one

Standard CAS: 582-65-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
582-65-0
Multi CAS
Yes
Molecular Formula
C10F4H6O2
Molecular Weight
234.150000
Exact Mass
234.030392
InChI
InChI=1S/C10H6F4O2/c11-7-3-1-6(2-4-7)8(15)5-9(16)10(12,13)14/h1-5,15H
InChIKey
VDFBHWHXKCRKSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.07
TPSA
37.3

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
3.2
Consensus LogP
2.86
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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