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CAS 66489-68-7 Tris(1,1,1,3,3,3-hexafluoro-2-propyl) Phosphate molecular structure lightbox
CAS RN: 66489-68-7

Tris(1,1,1,3,3,3-hexafluoro-2-propyl) Phosphate

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250222 1g Out of stock Inquiry
Batchno.20250426 250mg Out of stock Inquiry
Batchno.20260105 5g Out of stock Inquiry
  • Product code: SSC-176172
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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: ≥98%
  • 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 66489-68-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

66489-68-7 / tris(1,1,1,3,3,3-hexafluoropropan-2-yl) phosphate

Standard CAS: 66489-68-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66489-68-7
Multi CAS
Yes
Molecular Formula
C9F18H3O4P
Molecular Weight
548.060000
Exact Mass
547.948153
InChI
InChI=1S/C9H3F18O4P/c10-4(11,12)1(5(13,14)15)29-32(28,30-2(6(16,17)18)7(19,20)21)31-3(8(22,23)24)9(25,26)27/h1-3H
InChIKey
QLCATRCPAOPBOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
58.56
TPSA
44.76

LogP / Solubility

WLOGP
6.62
MLOGP
5.87
XLogP3
6.4
Consensus LogP
6.3
Log S (ESOL)
-7.02
Class (ESOL)
Insoluble
Log S (Ali)
-8.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.36

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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