CAS RN: 63520-39-8
1H-1,2,4-Triazole,5-chloro-1-ethyl-(9CI)
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.20250907 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS63520-39-8
- Purity/Analytical Methods: >99.0%
63520-39-8 / 5-chloro-1-ethyl-1,2,4-triazole
Basic Information
CAS
63520-39-8
Multi CAS
Yes
Molecular Formula
C4H6CLN3
Molecular Weight
131.560000
Exact Mass
131.025025
InChI
InChI=1S/C4H6ClN3/c1-2-8-4(5)6-3-7-8/h3H,2H2,1H3
InChIKey
PSFKTYHTVOHGGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
30.71
TPSA
30.71
LogP / Solubility
WLOGP
0.95
MLOGP
0.83
XLogP3
1.3
Consensus LogP
1.03
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-2.85
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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