![CAS 1955558-29-8 1,2,4-Triazolo[4,3-a]pyridine-3-methanamine, 8-fluoro-, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1955558-29-8.gif)
CAS RN: 1955558-29-8
1,2,4-Triazolo[4,3-a]pyridine-3-methanamine, 8-fluoro-, hydrochloride (1:1)
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250603 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260607 | 1g | Out of stock | Inquiry | ||
| Batchno.20260410 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260610 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250522 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251123 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1955558-29-8
- Purity/Analytical Methods: >99.0%
1955558-29-8 / (8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine;hydrochloride
Basic Information
CAS
1955558-29-8
Multi CAS
No
Molecular Formula
C7H8ClFN4
Molecular Weight
202.620000
Exact Mass
202.042152
SMILES
C1=CN2C(=NN=C2C(=C1)F)CN.Cl
InChI
InChI=1S/C7H7FN4.ClH/c8-5-2-1-3-12-6(4-9)10-11-7(5)12;/h1-3H,4,9H2;1H
InChIKey
UINQSEMJHLTLLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.08
TPSA
56.21
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.75
Consensus LogP
0.72
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-3.42
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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