CAS RN: 2028281-90-3
t-Boc-Aminooxy-PEG4-CH2CO2H
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250413 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2028281-90-3
- Purity/Analytical Methods: >99.0%
2028281-90-3 / 2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethoxy]acetic acid
Basic Information
CAS
2028281-90-3
Multi CAS
No
Molecular Formula
C15H29NO9
Molecular Weight
367.390000
Exact Mass
367.184232
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCC(=O)O
InChI
InChI=1S/C15H29NO9/c1-15(2,3)25-14(19)16-24-11-10-22-7-6-20-4-5-21-8-9-23-12-13(17)18/h4-12H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
JVRAJIPQLHJVKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.87
Rotatable bonds
15
H-bond acceptors
8
H-bond donors
2
Molar refractivity
86.23
TPSA
121.78
LogP / Solubility
WLOGP
0.59
MLOGP
0.54
Consensus LogP
0.38
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly 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)
-4.54
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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