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CAS 887591-03-9 3-Azetidinol, 1-amino- molecular structure lightbox
CAS RN: 887591-03-9

3-Azetidinol, 1-amino-

  • Product code: SSC-200399
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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: 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 887591-03-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

887591-03-9 / 1-aminoazetidin-3-ol

Standard CAS: 887591-03-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
887591-03-9
Multi CAS
Yes
Molecular Formula
C3H8N2O
Molecular Weight
88.110000
Exact Mass
88.063663
InChI
InChI=1S/C3H8N2O/c4-5-1-3(6)2-5/h3,6H,1-2,4H2
InChIKey
HSLXRRPEDWDDQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
21.77
TPSA
49.49

LogP / Solubility

WLOGP
-1.46
MLOGP
-1.3
XLogP3
-1.3
Consensus LogP
-1.35
Log S (ESOL)
0.54
Class (ESOL)
Highly soluble
Log S (Ali)
0.77
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.98
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)
-4.3

Drug-likeness / Medicinal Chemistry

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

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