CAS RN: 1059588-19-0
m-PEG9-Ms
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260615 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1059588-19-0
- Purity/Analytical Methods: >99.0%
1059588-19-0 / 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
m-PEG9-Ms | 2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate | 2,5,8,11,14,17,20,23-octaoxapentacosan-25-yl methanesulfonate
Basic Information
CAS
1059588-19-0
Multi CAS
Yes
Molecular Formula
C18H38O11S
Molecular Weight
462.600000
Exact Mass
462.213483
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)C
InChI
InChI=1S/C18H38O11S/c1-21-3-4-22-5-6-23-7-8-24-9-10-25-11-12-26-13-14-27-15-16-28-17-18-29-30(2,19)20/h3-18H2,1-2H3
InChIKey
AQFJPOUIRSKMIV-UHFFFAOYSA-N
Synonyms
m-PEG9-Ms
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
2,5,8,11,14,17,20,23-octaoxapentacosan-25-yl methanesulfonate
SCHEMBL661021
orb1989140
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
1
Rotatable bonds
25
H-bond acceptors
11
Molar refractivity
108.4
TPSA
117.21
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.21
XLogP3
-1.5
Consensus LogP
-0.66
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.44
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)
-5.74
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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