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CAS 35995-21-2 3-Hydroxy-1-ethylazetidin… molecular structure lightbox
CAS RN: 35995-21-2

3-Hydroxy-1-ethylazetidin…

  • Product code: SSC-143087
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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: 5g
  • 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 35995-21-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

35995-21-2 / 1-ethylazetidin-3-ol

Standard CAS: 35995-21-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35995-21-2
Multi CAS
Yes
Molecular Formula
C5H11NO
Molecular Weight
101.150000
Exact Mass
101.084064
InChI
InChI=1S/C5H11NO/c1-2-6-3-5(7)4-6/h5,7H,2-4H2,1H3
InChIKey
ZMXWVFGREWGXIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.12
TPSA
23.47

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.29
XLogP3
-0.2
Consensus LogP
-0.27
Log S (ESOL)
-0.2
Class (ESOL)
Very soluble
Log S (Ali)
-0.16
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.17
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)
-3.56

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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