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CAS 1017232-88-0 2-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)ethylaMine molecular structure lightbox
CAS RN: 1017232-88-0

2-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)ethylaMine

  • Product code: SSC-002673
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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: 0.25g, 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 1017232-88-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1017232-88-0 / 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanamine

2-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)ethylamine | 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanamine | MFCD09883758

Standard CAS: 1017232-88-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1017232-88-0
Multi CAS
Yes
Molecular Formula
C7H11N3O
Molecular Weight
153.180000
Exact Mass
153.090212
SMILES
C1CC1C2=NN=C(O2)CCN
InChI
InChI=1S/C7H11N3O/c8-4-3-6-9-10-7(11-6)5-1-2-5/h5H,1-4,8H2
InChIKey
CHGSNCDVRFYJND-UHFFFAOYSA-N
Synonyms
2-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)ethylamine 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethanamine MFCD09883758 2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)ethan-1-amine SCHEMBL1784049

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.71
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
39.03
TPSA
64.94

LogP / Solubility

WLOGP
0.45
MLOGP
0.39
XLogP3
-0.3
Consensus LogP
0.18
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
Class (SILICOS-IT)
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)
-3.34

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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