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CAS 1449201-23-3 1-(prop-2-yn-1-yl)azetidine molecular structure lightbox
CAS RN: 1449201-23-3

1-(prop-2-yn-1-yl)azetidine

  • Product code: SSC-056291
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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 1449201-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1449201-23-3 / 1-prop-2-ynylazetidine

Standard CAS: 1449201-23-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1449201-23-3
Multi CAS
No
Molecular Formula
C6H9N
Molecular Weight
95.140000
Exact Mass
95.073499
SMILES
C#CCN1CCC1
InChI
InChI=1S/C6H9N/c1-2-4-7-5-3-6-7/h1H,3-6H2
InChIKey
FJPKPVUHDMFVCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
29.89
TPSA
3.24

LogP / Solubility

WLOGP
0.33
MLOGP
0.27
XLogP3
0.5
Consensus LogP
0.37
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.67
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)
-3.07

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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