CAS RN: 2250216-95-4
t-Boc-Aminooxy-PEG5-azide
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.20250422 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2250216-95-4
- Purity/Analytical Methods: >99.0%
2250216-95-4 / tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
Basic Information
CAS
2250216-95-4
Multi CAS
No
Molecular Formula
C17H34N4O8
Molecular Weight
422.500000
Exact Mass
422.237664
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C17H34N4O8/c1-17(2,3)29-16(22)20-28-15-14-27-13-12-26-11-10-25-9-8-24-7-6-23-5-4-19-21-18/h4-15H2,1-3H3,(H,20,22)
InChIKey
RDCAWXMQQLMLFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.94
Rotatable bonds
19
H-bond acceptors
9
H-bond donors
1
Molar refractivity
103.43
TPSA
142.47
LogP / Solubility
WLOGP
1.84
MLOGP
1.64
XLogP3
1.1
Consensus LogP
1.53
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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