![CAS 63777-68-4 1-Phenethyl-1H-benzo[d][1,2,3]triazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63777-68-4.gif)
CAS RN: 63777-68-4
1-Phenethyl-1H-benzo[d][1,2,3]triazole
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.20260423 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS63777-68-4
- Purity/Analytical Methods: >99.0%
63777-68-4 / 1-(2-phenylethyl)benzotriazole
Basic Information
CAS
63777-68-4
Multi CAS
No
Molecular Formula
C14H13N3
Molecular Weight
223.270000
Exact Mass
223.110947
InChI
InChI=1S/C14H13N3/c1-2-6-12(7-3-1)10-11-17-14-9-5-4-8-13(14)15-16-17/h1-9H,10-11H2
InChIKey
GBHXISDJTKHBFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
67.67
TPSA
30.71
LogP / Solubility
WLOGP
2.67
MLOGP
2.36
XLogP3
3.2
Consensus LogP
2.74
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.18
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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