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CAS 23159-61-7 Ethyl 1H-1,2,4-triazol-5-ylacetate molecular structure lightbox
CAS RN: 23159-61-7

Ethyl 1H-1,2,4-triazol-5-ylacetate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250622 1g In stock Inquiry
Batchno.20251230 250mg In stock Inquiry
Batchno.20251013 50mg In stock Inquiry
  • Product code: SSC-112686
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 1g, 0.1g, 0.25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23159-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
1g >97% 4 In Stock Beijing Inquiry
0.1g >97% 3 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
10g >97% 2 In Stock Shenzhen Inquiry

23159-61-7 / ethyl 2-(1H-1,2,4-triazol-5-yl)acetate

Standard CAS: 23159-61-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23159-61-7
Multi CAS
No
Molecular Formula
C6H9N3O2
Molecular Weight
155.150000
Exact Mass
155.069477
SMILES
CCOC(=O)CC1=NC=NN1
InChI
InChI=1S/C6H9N3O2/c1-2-11-6(10)3-5-7-4-8-9-5/h4H,2-3H2,1H3,(H,7,8,9)
InChIKey
QWKGDUKXNRZJDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
36.72
TPSA
67.87

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.08
XLogP3
0.2
Consensus LogP
0.01
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
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)
-3.73

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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