CAS RN: 1442466-57-0
t-butyl acetate-PEG3-CH2COOH
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.20250802 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1442466-57-0
- Purity/Analytical Methods: >99.0%
1442466-57-0 / 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetic acid
Basic Information
CAS
1442466-57-0
Multi CAS
No
Molecular Formula
C14H26O8
Molecular Weight
322.350000
Exact Mass
322.162768
SMILES
CC(C)(C)OC(=O)COCCOCCOCCOCC(=O)O
InChI
InChI=1S/C14H26O8/c1-14(2,3)22-13(17)11-21-9-7-19-5-4-18-6-8-20-10-12(15)16/h4-11H2,1-3H3,(H,15,16)
InChIKey
AIRJXXFDTSVEAV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.86
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
1
Molar refractivity
76.76
TPSA
100.52
LogP / Solubility
WLOGP
0.48
MLOGP
0.44
XLogP3
0.1
Consensus LogP
0.34
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.71
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)
-4.35
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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