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CAS 1872433-61-8 1,1,1-Trifluoroethyl-PEG5-Tos molecular structure lightbox
CAS RN: 1872433-61-8

1,1,1-Trifluoroethyl-PEG5-Tos

  • Product code: SSC-087030
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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: 0.25g
  • 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 1872433-61-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shenzhen Inquiry

1872433-61-8 / 2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

Standard CAS: 1872433-61-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1872433-61-8
Multi CAS
No
Molecular Formula
C17H25F3O7S
Molecular Weight
430.400000
Exact Mass
430.127309
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCC(F)(F)F
InChI
InChI=1S/C17H25F3O7S/c1-15-2-4-16(5-3-15)28(21,22)27-13-12-25-9-8-23-6-7-24-10-11-26-14-17(18,19)20/h2-5H,6-14H2,1H3
InChIKey
UYAXEKCLHRTXQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
15
H-bond acceptors
7
Molar refractivity
93.65
TPSA
80.29

LogP / Solubility

WLOGP
2.33
MLOGP
2.08
XLogP3
2
Consensus LogP
2.14
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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