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CAS 1872433-72-1 1,1,1-Trifluoroethyl-PEG4-amine molecular structure lightbox
CAS RN: 1872433-72-1

1,1,1-Trifluoroethyl-PEG4-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250523 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1872433-72-1
  • Purity/Analytical Methods: >99.0%
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1872433-72-1 / 2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethanamine

Standard CAS: 1872433-72-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1872433-72-1
Multi CAS
No
Molecular Formula
C10H20F3NO4
Molecular Weight
275.270000
Exact Mass
275.134443
SMILES
C(COCCOCCOCCOCC(F)(F)F)N
InChI
InChI=1S/C10H20F3NO4/c11-10(12,13)9-18-8-7-17-6-5-16-4-3-15-2-1-14/h1-9,14H2
InChIKey
JVFYELHCDPCZQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
1
Molar refractivity
58.39
TPSA
62.94

LogP / Solubility

WLOGP
0.57
MLOGP
0.51
XLogP3
-0.2
Consensus LogP
0.29
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.37
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)
-3.99

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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