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CAS 141282-24-8 Tr-PEG6 molecular structure lightbox
CAS RN: 141282-24-8

Tr-PEG6

  • Product code: SSC-051651
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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: 1g
  • 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 141282-24-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

141282-24-8 / 2-[2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

Standard CAS: 141282-24-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
141282-24-8
Multi CAS
No
Molecular Formula
C29H36O6
Molecular Weight
480.600000
Exact Mass
480.251189
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCOCCOCCOCCOCCO
InChI
InChI=1S/C29H36O6/c30-16-17-31-18-19-32-20-21-33-22-23-34-24-25-35-29(26-10-4-1-5-11-26,27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-15,30H,16-25H2
InChIKey
SCTIZOCQZVDVRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.38
Rotatable bonds
18
H-bond acceptors
6
H-bond donors
1
Molar refractivity
135.52
TPSA
66.38

LogP / Solubility

WLOGP
4.05
MLOGP
3.6
XLogP3
3.5
Consensus LogP
3.72
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.31
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

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

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