CAS RN: 109789-41-5
Ms-PEG8-Ms
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251119 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS109789-41-5
- Purity/Analytical Methods: >99.0%
109789-41-5 / 2-[2-[2-[2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
Ms-PEG8-Ms | 3,6,9,12,15,18-hexaoxaicosane-1,20-diyl dimethanesulfonate | 2-[2-[2-[2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
Basic Information
CAS
109789-41-5
Multi CAS
Yes
Molecular Formula
C16H34O12S2
Molecular Weight
482.600000
Exact Mass
482.149169
SMILES
CS(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)C
InChI
InChI=1S/C16H34O12S2/c1-29(17,18)27-15-13-25-11-9-23-7-5-21-3-4-22-6-8-24-10-12-26-14-16-28-30(2,19)20/h3-16H2,1-2H3
InChIKey
HGSUQRYIYRXWTQ-UHFFFAOYSA-N
Synonyms
Ms-PEG8-Ms
3,6,9,12,15,18-hexaoxaicosane-1,20-diyl dimethanesulfonate
2-[2-[2-[2-[2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
20-(methanesulfonyloxy)-3,6,9,12,15,18-hexaoxaicosan-1-yl methanesulfonate
orb1989079
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
1
Rotatable bonds
23
H-bond acceptors
12
Molar refractivity
106.51
TPSA
142.12
LogP / Solubility
WLOGP
-0.96
MLOGP
-0.81
XLogP3
-1.8
Consensus LogP
-1.19
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly 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)
-6.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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