CAS RN: 252378-66-8

t-Boc-Aminoxy-PEG3-alcohol

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  • Product code: starshine_CAS252378-66-8
  • Purity/Analytical Methods: >99.0%
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252378-66-8 / tert-butyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]carbamate

Standard CAS: 252378-66-8 Multi CAS: No

Basic Information

CAS
252378-66-8
Multi CAS
No
Molecular Formula
C11H23NO6
Molecular Weight
265.300000
Exact Mass
265.152537
SMILES
CC(C)(C)OC(=O)NOCCOCCOCCO
InChI
InChI=1S/C11H23NO6/c1-11(2,3)18-10(14)12-17-9-8-16-7-6-15-5-4-13/h13H,4-9H2,1-3H3,(H,12,14)
InChIKey
MSPPJFIQLDPGQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
64.05
TPSA
86.25

LogP / Solubility

WLOGP
0.47
MLOGP
0.42
Consensus LogP
0.3
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-4.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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