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CAS 122193-68-4 3-[2-(PERFLUOROHEXYL)ETHOXY]-1,2-EPOXYPROPANE molecular structure lightbox
CAS RN: 122193-68-4

3-[2-(PERFLUOROHEXYL)ETHOXY]-1,2-EPOXYPROPANE

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260220 100g Out of stock 15 business days Inquiry
Batchno.20260403 25g In stock Shandong Inquiry
Batchno.20260115 5g In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS122193-68-4
  • Purity/Analytical Methods: >99.0%
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122193-68-4 / 2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxymethyl)oxirane

Standard CAS: 122193-68-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
122193-68-4
Multi CAS
No
Molecular Formula
C11H9F13O2
Molecular Weight
420.170000
Exact Mass
420.039496
SMILES
C1C(O1)COCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H9F13O2/c12-6(13,1-2-25-3-5-4-26-5)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,1-4H2
InChIKey
DRSDQADBHIDJCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
55.97
TPSA
21.76

LogP / Solubility

WLOGP
4.53
MLOGP
4.01
XLogP3
4.6
Consensus LogP
4.38
Log S (ESOL)
-4.71
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.23
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)
-2.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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