CAS RN: 1370698-27-3
Aminooxy-PEG7-methane
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS1370698-27-3
- Purity/Analytical Methods: >99.0%
1370698-27-3 / O-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hydroxylamine
Basic Information
CAS
1370698-27-3
Multi CAS
No
Molecular Formula
C15H33NO8
Molecular Weight
355.420000
Exact Mass
355.220617
SMILES
COCCOCCOCCOCCOCCOCCOCCON
InChI
InChI=1S/C15H33NO8/c1-17-2-3-18-4-5-19-6-7-20-8-9-21-10-11-22-12-13-23-14-15-24-16/h2-16H2,1H3
InChIKey
DGGSCAFEGLNJGW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
1
Rotatable bonds
21
H-bond acceptors
9
H-bond donors
1
Molar refractivity
86.93
TPSA
99.86
LogP / Solubility
WLOGP
-0.38
MLOGP
-0.31
XLogP3
-1.7
Consensus LogP
-0.8
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.18
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)
-5.16
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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