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CAS 26131-32-8 Methyl 2,5-Bis(trifluoromethyl)-3,6-dioxaundecafluorononanoate (mixture of isomers) molecular structure lightbox
CAS RN: 26131-32-8

Methyl 2,5-Bis(trifluoromethyl)-3,6-dioxaundecafluorononanoate (mixture of isomers)

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260214 1g Out of stock Inquiry
Batchno.20250127 250mg Out of stock Inquiry
  • Product code: SSC-123052
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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 26131-32-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

26131-32-8 / methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate

Standard CAS: 26131-32-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26131-32-8
Multi CAS
No
Molecular Formula
C10H3F17O4
Molecular Weight
510.100000
Exact Mass
509.975987
SMILES
COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
InChI
InChI=1S/C10H3F17O4/c1-29-2(28)3(11,6(15,16)17)30-10(26,27)5(14,8(21,22)23)31-9(24,25)4(12,13)7(18,19)20/h1H3
InChIKey
UMADKHFVSXRTGY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
54.87
TPSA
44.76

LogP / Solubility

WLOGP
5.03
MLOGP
4.47
XLogP3
6
Consensus LogP
5.17
Log S (ESOL)
-5.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.26

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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