CAS RN: 2173095-09-3
m-PEG3-S-PEG2-OH
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.20260410 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2173095-09-3
- Purity/Analytical Methods: >99.0%
2173095-09-3 / 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethanol
Basic Information
CAS
2173095-09-3
Multi CAS
No
Molecular Formula
C13H28O6S
Molecular Weight
312.420000
Exact Mass
312.160660
SMILES
COCCOCCOCCSCCOCCOCCO
InChI
InChI=1S/C13H28O6S/c1-15-4-5-17-7-9-19-11-13-20-12-10-18-8-6-16-3-2-14/h14H,2-13H2,1H3
InChIKey
OQJIYONNKPBBOR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
17
H-bond acceptors
7
H-bond donors
1
Molar refractivity
79.56
TPSA
66.38
LogP / Solubility
WLOGP
0.42
MLOGP
0.39
XLogP3
-0.5
Consensus LogP
0.1
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.32
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
1.5
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