CAS RN: 874208-90-9
m-PEG7-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.20250311 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS874208-90-9
- Purity/Analytical Methods: >99.0%
874208-90-9 / tert-butyl 3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
874208-90-9
Multi CAS
Yes
Molecular Formula
C20H40O9
Molecular Weight
424.500000
Exact Mass
424.267233
InChI
InChI=1S/C20H40O9/c1-20(2,3)29-19(21)5-6-23-9-10-25-13-14-27-17-18-28-16-15-26-12-11-24-8-7-22-4/h5-18H2,1-4H3
InChIKey
VRQOLQLYLAUIGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.95
Rotatable bonds
21
H-bond acceptors
9
Molar refractivity
107.25
TPSA
90.91
LogP / Solubility
WLOGP
1.46
MLOGP
1.32
Consensus LogP
0.93
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
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)
-4.27
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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