CAS RN: 1818294-27-7
S-acetyl-PEG3-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.20260411 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1818294-27-7
- Purity/Analytical Methods: >99.0%
1818294-27-7 / tert-butyl 3-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]propanoate
Basic Information
CAS
1818294-27-7
Multi CAS
No
Molecular Formula
C15H28O6S
Molecular Weight
336.400000
Exact Mass
336.160660
SMILES
CC(=O)SCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C15H28O6S/c1-13(16)22-12-11-20-10-9-19-8-7-18-6-5-14(17)21-15(2,3)4/h5-12H2,1-4H3
InChIKey
JTUABWSFWXGORZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.87
Rotatable bonds
12
H-bond acceptors
7
Molar refractivity
86.06
TPSA
71.06
LogP / Solubility
WLOGP
2.05
MLOGP
1.82
XLogP3
1
Consensus LogP
1.62
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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S-acetyl-PEG6-t-butyl ester
- CAS RN: 1818294-39-1
- Product Code: starshine_CAS1818294-39-1
- Purity/Analytical method: >99.0%
