CAS RN: 58905-26-3
Ethanone, 1-phenyl-2-(1H-1,2,4-triazol-1-yl)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251022 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS58905-26-3
- Purity/Analytical Methods: >99.0%
58905-26-3 / 1-phenyl-2-(1,2,4-triazol-1-yl)ethanone
Basic Information
CAS
58905-26-3
Multi CAS
No
Molecular Formula
C10H9N3O
Molecular Weight
187.200000
Exact Mass
187.074562
InChI
InChI=1S/C10H9N3O/c14-10(6-13-8-11-7-12-13)9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKey
RXGNQUOYJPSWRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
50.79
TPSA
47.78
LogP / Solubility
WLOGP
1.16
MLOGP
1.02
XLogP3
1.5
Consensus LogP
1.23
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately 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)
-3.04
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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![CAS 58905-44-5 N-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N-PHENYLACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58905-44-5.gif)
![CAS 58905-46-7 N1-[4-(CHLOROMETHYL)-1,3-THIAZOL-2-YL]-N1-(4-METHYLPHENYL)ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/58905-46-7.gif)
