CAS RN: 1818294-39-1
S-acetyl-PEG6-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.20250127 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1818294-39-1
- Purity/Analytical Methods: >99.0%
1818294-39-1 / tert-butyl 3-[2-[2-[2-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
1818294-39-1
Multi CAS
No
Molecular Formula
C21H40O9S
Molecular Weight
468.600000
Exact Mass
468.239304
SMILES
CC(=O)SCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C21H40O9S/c1-19(22)31-18-17-29-16-15-28-14-13-27-12-11-26-10-9-25-8-7-24-6-5-20(23)30-21(2,3)4/h5-18H2,1-4H3
InChIKey
COWMBKVRIKGHSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.9
Rotatable bonds
21
H-bond acceptors
10
Molar refractivity
118.52
TPSA
98.75
LogP / Solubility
WLOGP
2.1
MLOGP
1.88
XLogP3
0.6
Consensus LogP
1.53
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.97
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)
-4.09
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
