CAS RN: 1306615-51-9
Aminoxy-PEG3-azide
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260226 | 5mg / 100mg / 250mg | Confirm by inquiry | Shandong | 15 business days | Inquiry |
- Product code: starshine_CAS1306615-51-9
- Purity/Analytical Methods: >99.0%
1306615-51-9 / O-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]hydroxylamine
Basic Information
CAS
1306615-51-9
Multi CAS
No
Molecular Formula
C8H18N4O4
Molecular Weight
234.250000
Exact Mass
234.132805
SMILES
C(COCCOCCOCCON)N=[N+]=[N-]
InChI
InChI=1S/C8H18N4O4/c9-12-11-1-2-13-3-4-14-5-6-15-7-8-16-10/h1-8,10H2
InChIKey
WSRXFPCTWIFEOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
1
Molar refractivity
56.61
TPSA
111.7
LogP / Solubility
WLOGP
0.24
MLOGP
0.21
XLogP3
-0.2
Consensus LogP
0.08
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately 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)
-3.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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