CAS RN: 63400-46-4
1,6-di(1H-1,2,4-triazol-1-yl)hexane
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250530 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINH887562
63400-46-4 / 1-[6-(1,2,4-triazol-1-yl)hexyl]-1,2,4-triazole
Basic Information
CAS
63400-46-4
Multi CAS
Yes
Molecular Formula
C10H16N6
Molecular Weight
220.270000
Exact Mass
220.143645
InChI
InChI=1S/C10H16N6/c1(3-5-15-9-11-7-13-15)2-4-6-16-10-12-8-14-16/h7-10H,1-6H2
InChIKey
WUGSMDPWLKEWMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
58.51
TPSA
61.42
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
1.1
Consensus LogP
1.08
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-3.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: SSC-035106
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