CAS RN: 2098983-14-1
t-Boc-Aminooxy-PEG2-CH2CO2H
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.20260113 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2098983-14-1
- Purity/Analytical Methods: >99.0%
2098983-14-1 / 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]acetic acid
Basic Information
CAS
2098983-14-1
Multi CAS
No
Molecular Formula
C11H21NO7
Molecular Weight
279.290000
Exact Mass
279.131802
SMILES
CC(C)(C)OC(=O)NOCCOCCOCC(=O)O
InChI
InChI=1S/C11H21NO7/c1-11(2,3)19-10(15)12-18-7-6-16-4-5-17-8-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
NACXAXGVXHCHTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.82
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
64.6
TPSA
103.32
LogP / Solubility
WLOGP
0.56
MLOGP
0.5
XLogP3
0.3
Consensus LogP
0.45
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-4.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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