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CAS 1835759-72-2 Aminooxy-PEG3-t-butyl ester molecular structure lightbox
CAS RN: 1835759-72-2

Aminooxy-PEG3-t-butyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260510 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1835759-72-2
  • Purity/Analytical Methods: >99.0%
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1835759-72-2 / tert-butyl 3-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]propanoate

Standard CAS: 1835759-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1835759-72-2
Multi CAS
No
Molecular Formula
C13H27NO6
Molecular Weight
293.360000
Exact Mass
293.183838
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCON
InChI
InChI=1S/C13H27NO6/c1-13(2,3)20-12(15)4-5-16-6-7-17-8-9-18-10-11-19-14/h4-11,14H2,1-3H3
InChIKey
NZYHFTOQEYCMKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.92
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
1
Molar refractivity
73.06
TPSA
89.24

LogP / Solubility

WLOGP
0.66
MLOGP
0.59
XLogP3
-0.3
Consensus LogP
0.32
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly 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)
-4.04

Drug-likeness / Medicinal Chemistry

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

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