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CAS 86152-46-7 ethyl 2-(3-amino-1H-1,2,4-triazol-5-yl)acetate molecular structure lightbox
CAS RN: 86152-46-7

ethyl 2-(3-amino-1H-1,2,4-triazol-5-yl)acetate

  • Product code: SSC-195022
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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 86152-46-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

86152-46-7 / ethyl 2-(3-amino-1H-1,2,4-triazol-5-yl)acetate

Standard CAS: 86152-46-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86152-46-7
Multi CAS
No
Molecular Formula
C6H10N4O2
Molecular Weight
170.170000
Exact Mass
170.080376
InChI
InChI=1S/C6H10N4O2/c1-2-12-5(11)3-4-8-6(7)10-9-4/h2-3H2,1H3,(H3,7,8,9,10)
InChIKey
NWORJPBMFMZKAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
41.13
TPSA
93.89

LogP / Solubility

WLOGP
-0.51
MLOGP
-0.45
XLogP3
-0.2
Consensus LogP
-0.39
Log S (ESOL)
-0.69
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very 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)
-4.12

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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