CAS RN: 2055041-18-2
Propargyl-PEG4-S-PEG4-t-butyl ester
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.20251006 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2055041-18-2
- Purity/Analytical Methods: >99.0%
2055041-18-2 / tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2055041-18-2
Multi CAS
No
Molecular Formula
C26H48O10S
Molecular Weight
552.700000
Exact Mass
552.296819
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCSCCOCCOCCOCCOCC#C
InChI
InChI=1S/C26H48O10S/c1-5-7-28-9-11-30-13-15-32-17-19-34-21-23-37-24-22-35-20-18-33-16-14-31-12-10-29-8-6-25(27)36-26(2,3)4/h1H,6-24H2,2-4H3
InChIKey
CQWOCVRYLDFSFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.88
Rotatable bonds
28
H-bond acceptors
11
Molar refractivity
143.17
TPSA
100.14
LogP / Solubility
WLOGP
2.22
MLOGP
1.99
XLogP3
0.6
Consensus LogP
1.6
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-8.45
Class (SILICOS-IT)
Insoluble
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)
-4.52
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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