CAS RN: 1383980-52-6
Bis-aminooxy-PEG7
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.20260325 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1383980-52-6
- Purity/Analytical Methods: >99.0%
1383980-52-6 / O-[2-[2-[2-[2-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hydroxylamine
Basic Information
CAS
1383980-52-6
Multi CAS
No
Molecular Formula
C16H36N2O9
Molecular Weight
400.470000
Exact Mass
400.242081
SMILES
C(COCCOCCOCCON)OCCOCCOCCOCCON
InChI
InChI=1S/C16H36N2O9/c17-26-15-13-24-11-9-22-7-5-20-3-1-19-2-4-21-6-8-23-10-12-25-14-16-27-18/h1-18H2
InChIKey
HKMKUVSBEGNABB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
1
Rotatable bonds
24
H-bond acceptors
11
H-bond donors
2
Molar refractivity
96.01
TPSA
135.11
LogP / Solubility
WLOGP
-1.12
MLOGP
-0.96
XLogP3
-2.6
Consensus LogP
-1.56
Log S (ESOL)
-0.04
Class (ESOL)
Very soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
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)
-5.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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