CAS RN: 502685-68-9
5-(4-fluorobenzyl)-1H-1,2,4-triazol-3-amine
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.20250617 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS502685-68-9
- Purity/Analytical Methods: >99.0%
502685-68-9 / 5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine
Basic Information
CAS
502685-68-9
Multi CAS
No
Molecular Formula
C9FH9N4
Molecular Weight
192.190000
Exact Mass
192.081124
InChI
InChI=1S/C9H9FN4/c10-7-3-1-6(2-4-7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H3,11,12,13,14)
InChIKey
WKTGLFHOWNWTRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50
TPSA
67.59
LogP / Solubility
WLOGP
1.12
MLOGP
0.98
XLogP3
1.7
Consensus LogP
1.27
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-3.1
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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