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CAS 1260773-28-1 1-(2-aminoethyl)azetidin-3-ol molecular structure lightbox
CAS RN: 1260773-28-1

1-(2-aminoethyl)azetidin-3-ol

  • Product code: SSC-032029
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1260773-28-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1260773-28-1 / 1-(2-aminoethyl)azetidin-3-ol

Standard CAS: 1260773-28-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260773-28-1
Multi CAS
No
Molecular Formula
C5H12N2O
Molecular Weight
116.160000
Exact Mass
116.094963
SMILES
C1C(CN1CCN)O
InChI
InChI=1S/C5H12N2O/c6-1-2-7-3-5(8)4-7/h5,8H,1-4,6H2
InChIKey
BOFAYJDENPSRMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
31.5
TPSA
49.49

LogP / Solubility

WLOGP
-1.38
MLOGP
-1.22
XLogP3
-1.5
Consensus LogP
-1.37
Log S (ESOL)
0.44
Class (ESOL)
Highly soluble
Log S (Ali)
0.48
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.49
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.41

Drug-likeness / Medicinal Chemistry

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

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