![CAS 627544-97-2 5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/627544-97-2.gif)
CAS RN: 627544-97-2
5-[(3-fluorophenyl)methyl]-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.20250526 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-172078
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
627544-97-2 / 5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine
Basic Information
CAS
627544-97-2
Multi CAS
No
Molecular Formula
C9FH9N4
Molecular Weight
192.190000
Exact Mass
192.081124
InChI
InChI=1S/C9H9FN4/c10-7-3-1-2-6(4-7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H3,11,12,13,14)
InChIKey
FCZVORHREVKMLY-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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