[email protected]
CAS 26738-51-2 2H-PERFLUORO-5,8,11-TRIMETHYL-3,6,9,12-TETRAOXAPENTADECANE molecular structure lightbox
CAS RN: 26738-51-2

2H-PERFLUORO-5,8,11-TRIMETHYL-3,6,9,12-TETRAOXAPENTADECANE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260408 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS26738-51-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

26738-51-2 / 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane

Standard CAS: 26738-51-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26738-51-2
Multi CAS
No
Molecular Formula
C14HF29O4
Molecular Weight
784.110000
Exact Mass
783.941175
SMILES
C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(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)(F)F)F)(F)F)F
InChI
InChI=1S/C14HF29O4/c15-1(2(16,17)18)44-12(38,39)4(21,8(27,28)29)46-14(42,43)6(23,10(33,34)35)47-13(40,41)5(22,9(30,31)32)45-11(36,37)3(19,20)7(24,25)26/h1H
InChIKey
NOCLWIPRQIWFMR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
75.76
TPSA
36.92

LogP / Solubility

WLOGP
9.16
MLOGP
8.13
XLogP3
10.4
Consensus LogP
9.23
Log S (ESOL)
-9.68
Class (ESOL)
Insoluble
Log S (Ali)
-12.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.8
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

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us