CAS RN: 15625-88-4
1H-1,2,4-Triazole,1-acetyl-(6CI,7CI,8CI,9CI)
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250219 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250519 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250402 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260621 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250529 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS15625-88-4
- Purity/Analytical Methods: >99.0%
15625-88-4 / 1-(1,2,4-triazol-1-yl)ethanone
Basic Information
CAS
15625-88-4
Multi CAS
No
Molecular Formula
C4H5N3O
Molecular Weight
111.100000
Exact Mass
111.043262
SMILES
CC(=O)N1C=NC=N1
InChI
InChI=1S/C4H5N3O/c1-4(8)7-3-5-2-6-7/h2-3H,1H3
InChIKey
GLGDTYAVPSJOSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
4
Molar refractivity
26.32
TPSA
47.78
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.07
XLogP3
-0.1
Consensus LogP
-0.08
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.33
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)
-3.44
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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