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CAS RN: 331434-05-0
4-FLUORO-N-(4H-1,2,4-TRIAZOL-4-YL)BENZENECARBOXAMIDE
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.20250420 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS331434-05-0
- Purity/Analytical Methods: >99.0%
331434-05-0 / 4-fluoro-N-(1,2,4-triazol-4-yl)benzamide
Basic Information
CAS
331434-05-0
Multi CAS
No
Molecular Formula
C9FH7N4O
Molecular Weight
206.180000
Exact Mass
206.060389
InChI
InChI=1S/C9H7FN4O/c10-8-3-1-7(2-4-8)9(15)13-14-5-11-12-6-14/h1-6H,(H,13,15)
InChIKey
QNLTTXQVAMGCIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.11
TPSA
59.81
LogP / Solubility
WLOGP
0.8
MLOGP
0.71
XLogP3
0.8
Consensus LogP
0.77
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-3.41
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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![CAS 331465-71-5 2,8,9-Tri-i-butyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/331465-71-5.gif)
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