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CAS 3775-61-9 5-ETHYL-1,3,4-OXADIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 3775-61-9

5-ETHYL-1,3,4-OXADIAZOL-2-YLAMINE

  • Product code: SSC-145185
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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: ＞97%
  • 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 3775-61-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

3775-61-9 / 5-ethyl-1,3,4-oxadiazol-2-amine

Standard CAS: 3775-61-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3775-61-9
Multi CAS
No
Molecular Formula
C4H7N3O
Molecular Weight
113.120000
Exact Mass
113.058912
InChI
InChI=1S/C4H7N3O/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
InChIKey
XHSTYRIUVMKGDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
28.09
TPSA
64.94

LogP / Solubility

WLOGP
0.21
MLOGP
0.18
XLogP3
-0.3
Consensus LogP
0.03
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
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)
-3.26

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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