CAS RN: 5533-73-3
4,5-Diphenyl-1H-1,2,3-triazole
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.20250421 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5533-73-3
- Purity/Analytical Methods: >99.0%
5533-73-3 / 4,5-diphenyl-2H-triazole
Basic Information
CAS
5533-73-3
Multi CAS
Yes
Molecular Formula
C14H11N3
Molecular Weight
221.260000
Exact Mass
221.095297
InChI
InChI=1S/C14H19NO3/c1-17-12-6-3-10(9-13(12)18-2)7-8-15-14(16)11-4-5-11/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,15,16)
InChIKey
QPBWHEBUYQQIJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.25
TPSA
41.57
LogP / Solubility
WLOGP
3.14
MLOGP
2.76
XLogP3
3.7
Consensus LogP
3.2
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.94
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
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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