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CAS 28711-29-7 1,2,4-TRIAZOLE-1-ACETIC ACID molecular structure lightbox
CAS RN: 28711-29-7

1,2,4-TRIAZOLE-1-ACETIC ACID

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251025 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250220 250mg In stock Shanghai Inquiry
Batchno.20260404 25g In stock Shanghai Inquiry
Batchno.20251021 5g In stock Shanghai Inquiry
  • Product code: SSC-130336
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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: 5g
  • 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 28711-29-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

28711-29-7 / 2-(1,2,4-triazol-1-yl)acetic acid

Standard CAS: 28711-29-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28711-29-7
Multi CAS
No
Molecular Formula
C4H5N3O2
Molecular Weight
127.100000
Exact Mass
127.038176
SMILES
C1=NN(C=N1)CC(=O)O
InChI
InChI=1S/C4H5N3O2/c8-4(9)1-7-3-5-2-6-7/h2-3H,1H2,(H,8,9)
InChIKey
RXDBSQXFIWBJSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
27.66
TPSA
68.01

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.57
XLogP3
-0.3
Consensus LogP
-0.5
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.14
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.95

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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