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CAS 139115-89-2 Hydroxy-PEG3-Mes molecular structure lightbox
CAS RN: 139115-89-2

Hydroxy-PEG3-Mes

  • Product code: SSC-049309
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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
  • 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 139115-89-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shenzhen Inquiry
0.1g >97% 2 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g -- 2 In Stock Beijing Inquiry
1g >97% 2 In Stock Shanghai Inquiry

139115-89-2 / 2-[2-(2-hydroxyethoxy)ethoxy]ethyl methanesulfonate

Standard CAS: 139115-89-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
139115-89-2
Multi CAS
No
Molecular Formula
C7H16O6S
Molecular Weight
228.270000
Exact Mass
228.066759
SMILES
CS(=O)(=O)OCCOCCOCCO
InChI
InChI=1S/C7H16O6S/c1-14(9,10)13-7-6-12-5-4-11-3-2-8/h8H,2-7H2,1H3
InChIKey
AVBMDKDBTYOBKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
1
Molar refractivity
49.52
TPSA
82.06

LogP / Solubility

WLOGP
-1.01
MLOGP
-0.89
XLogP3
-1.3
Consensus LogP
-1.07
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.38
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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