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CAS 2028284-73-1 Tos-PEG5-CH2CO2H molecular structure lightbox
CAS RN: 2028284-73-1

Tos-PEG5-CH2CO2H

  • Product code: SSC-095490
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 2028284-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

2028284-73-1 / 2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]acetic acid

Standard CAS: 2028284-73-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2028284-73-1
Multi CAS
No
Molecular Formula
C17H26O9S
Molecular Weight
406.400000
Exact Mass
406.129754
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C17H26O9S/c1-15-2-4-16(5-3-15)27(20,21)26-13-12-24-9-8-22-6-7-23-10-11-25-14-17(18)19/h2-5H,6-14H2,1H3,(H,18,19)
InChIKey
MTBIBZOLTXFDIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
16
H-bond acceptors
8
H-bond donors
1
Molar refractivity
95.23
TPSA
117.59

LogP / Solubility

WLOGP
0.85
MLOGP
0.77
XLogP3
0.4
Consensus LogP
0.67
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly 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)
-4.59

Drug-likeness / Medicinal Chemistry

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

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