CAS RN: 2100306-54-3
Ald-CH2-PEG4-CH2CO2tBu
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.20250524 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2100306-54-3
- Purity/Analytical Methods: >99.0%
2100306-54-3 / tert-butyl 2-[2-[2-[2-(2-oxoethoxy)ethoxy]ethoxy]ethoxy]acetate
Basic Information
CAS
2100306-54-3
Multi CAS
No
Molecular Formula
C14H26O7
Molecular Weight
306.350000
Exact Mass
306.167853
SMILES
CC(C)(C)OC(=O)COCCOCCOCCOCC=O
InChI
InChI=1S/C14H26O7/c1-14(2,3)21-13(16)12-20-11-10-19-9-8-18-7-6-17-5-4-15/h4H,5-12H2,1-3H3
InChIKey
RHRXPHXGYRSYPN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.86
Rotatable bonds
13
H-bond acceptors
7
Molar refractivity
75.19
TPSA
80.29
LogP / Solubility
WLOGP
0.59
MLOGP
0.53
XLogP3
0.1
Consensus LogP
0.41
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.7
Class (SILICOS-IT)
Poorly soluble
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)
-4.17
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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