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CAS 1352546-80-5 1-(t-Boc-Aminooxy)-3-aminooxy-propane molecular structure lightbox
CAS RN: 1352546-80-5

1-(t-Boc-Aminooxy)-3-aminooxy-propane

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260109 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1352546-80-5
  • Purity/Analytical Methods: >99.0%
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1352546-80-5 / tert-butyl N-(3-aminooxypropoxy)carbamate

Standard CAS: 1352546-80-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1352546-80-5
Multi CAS
No
Molecular Formula
C8H18N2O4
Molecular Weight
206.240000
Exact Mass
206.126657
SMILES
CC(C)(C)OC(=O)NOCCCON
InChI
InChI=1S/C8H18N2O4/c1-8(2,3)14-7(11)10-13-6-4-5-12-9/h4-6,9H2,1-3H3,(H,10,11)
InChIKey
BNGHPAGZQRLKHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
50.08
TPSA
82.81

LogP / Solubility

WLOGP
0.72
MLOGP
0.64
XLogP3
0.4
Consensus LogP
0.59
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
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)
-3.46

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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