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CAS 169751-72-8 PEG4-tert-butyl acetate molecular structure lightbox
CAS RN: 169751-72-8

PEG4-tert-butyl acetate

  • Product code: SSC-074351
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g, 5g, 10g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 169751-72-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
0.25g ≥97% 2 In Stock Beijing Inquiry
5g ≥97% 2 In Stock Beijing Inquiry
10g ≥97% 1 In Stock Shanghai Inquiry
25g ≥97% 1 In Stock Shanghai Inquiry
100g ≥97% 1 In Stock Shenzhen Inquiry

169751-72-8 / tert-butyl 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]acetate

Standard CAS: 169751-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169751-72-8
Multi CAS
No
Molecular Formula
C14H28O7
Molecular Weight
308.370000
Exact Mass
308.183503
SMILES
CC(C)(C)OC(=O)COCCOCCOCCOCCO
InChI
InChI=1S/C14H28O7/c1-14(2,3)21-13(16)12-20-11-10-19-9-8-18-7-6-17-5-4-15/h15H,4-12H2,1-3H3
InChIKey
NFZDNYVRTZIPKC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.93
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
1
Molar refractivity
76.21
TPSA
83.45

LogP / Solubility

WLOGP
0.39
MLOGP
0.35
XLogP3
-0.1
Consensus LogP
0.21
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly soluble

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)
-4.33

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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