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CAS 1895922-78-7 1,1,1-Trifluoroethyl-PEG4-Aminooxy molecular structure lightbox
CAS RN: 1895922-78-7

1,1,1-Trifluoroethyl-PEG4-Aminooxy

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250919 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1895922-78-7
  • Purity/Analytical Methods: >99.0%
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1895922-78-7 / O-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethyl]hydroxylamine

Standard CAS: 1895922-78-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1895922-78-7
Multi CAS
No
Molecular Formula
C10H20F3NO5
Molecular Weight
291.260000
Exact Mass
291.129357
SMILES
C(COCCOCC(F)(F)F)OCCOCCON
InChI
InChI=1S/C10H20F3NO5/c11-10(12,13)9-18-6-5-16-2-1-15-3-4-17-7-8-19-14/h1-9,14H2
InChIKey
PQVCKGCTWRTZFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
1
Molar refractivity
59.47
TPSA
72.17

LogP / Solubility

WLOGP
0.51
MLOGP
0.46
XLogP3
-0.1
Consensus LogP
0.29
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.53
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)
-4.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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