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
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.1g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 1g | -- | 2 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 2 In Stock | Hong Kong | Inquiry |
1059605-06-9 / 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
m-PEG20-alcohol | Methyl-PEG20-alcohol | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59-icosaoxahenhexacontan-61-ol
Basic Information
CAS
1059605-06-9
Multi CAS
Yes
Molecular Formula
C41H84O21
Molecular Weight
913.100000
Exact Mass
912.550510
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C41H84O21/c1-43-4-5-45-8-9-47-12-13-49-16-17-51-20-21-53-24-25-55-28-29-57-32-33-59-36-37-61-40-41-62-39-38-60-35-34-58-31-30-56-27-26-54-23-22-52-19-18-50-15-14-48-11-10-46-7-6-44-3-2-42/h42H,2-41H2,1H3
InChIKey
LBIAEEJHXWQGAM-UHFFFAOYSA-N
Synonyms
m-PEG20-alcohol
Methyl-PEG20-alcohol
2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59-icosaoxahenhexacontan-61-ol
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
orb1984892
Computed Properties
Structural Parameters
Heavy atom count
62
Fraction Csp3
1
Rotatable bonds
59
H-bond acceptors
21
H-bond donors
1
Molar refractivity
224.52
TPSA
204.83
LogP / Solubility
WLOGP
-0.06
MLOGP
0.03
XLogP3
-3.4
Consensus LogP
-1.14
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.63
Class (SILICOS-IT)
Insoluble
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)
-8.33
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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