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CAS 2165965-62-6 (R)-2-(oxetan-2-yl)ethan-1-amine molecular structure lightbox
CAS RN: 2165965-62-6

(R)-2-(oxetan-2-yl)ethan-1-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260608 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2165965-62-6
  • Purity/Analytical Methods: >99.0%
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2165965-62-6 / 2-[(2R)-oxetan-2-yl]ethanamine

Standard CAS: 2165965-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2165965-62-6
Multi CAS
No
Molecular Formula
C5H11NO
Molecular Weight
101.150000
Exact Mass
101.084064
SMILES
C1CO[C@@H]1CCN
InChI
InChI=1S/C5H11NO/c6-3-1-5-2-4-7-5/h5H,1-4,6H2/t5-/m1/s1
InChIKey
UFNYTHZFYPQOIX-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.03
TPSA
35.25

LogP / Solubility

WLOGP
0.12
MLOGP
0.1
XLogP3
-0.3
Consensus LogP
-0.03
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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