CAS RN: 2250216-94-3
Boc-Aminooxy-PEG5-amine
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.20250804 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2250216-94-3
- Purity/Analytical Methods: >99.0%
2250216-94-3 / tert-butyl N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
Basic Information
CAS
2250216-94-3
Multi CAS
No
Molecular Formula
C17H36N2O8
Molecular Weight
396.500000
Exact Mass
396.247166
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C17H36N2O8/c1-17(2,3)27-16(20)19-26-15-14-25-13-12-24-11-10-23-9-8-22-7-6-21-5-4-18/h4-15,18H2,1-3H3,(H,19,20)
InChIKey
RFFVAEAIBJSWJR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.94
Rotatable bonds
18
H-bond acceptors
9
H-bond donors
2
Molar refractivity
98.47
TPSA
119.73
LogP / Solubility
WLOGP
0.48
MLOGP
0.45
XLogP3
-0.7
Consensus LogP
0.08
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.8
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)
-4.79
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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