CAS RN: 58905-21-8
1-(4-FLUOROPHENYL)-2-(1H-1,2,4-TRIAZOLE-1-YL)ETHANONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250520 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS58905-21-8
- Purity/Analytical Methods: >99.0%
58905-21-8 / 1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
Basic Information
CAS
58905-21-8
Multi CAS
Yes
Molecular Formula
C10FH8N3O
Molecular Weight
205.190000
Exact Mass
205.065140
InChI
InChI=1S/C10H8FN3O/c11-9-3-1-8(2-4-9)10(15)5-14-7-12-6-13-14/h1-4,6-7H,5H2
InChIKey
IKOAKIRZMHXFFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
50.75
TPSA
47.78
LogP / Solubility
WLOGP
1.3
MLOGP
1.14
XLogP3
1.6
Consensus LogP
1.35
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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