CAS RN: 147330-32-3
5-BIPHENYL-2-YL-2H-TETRAZOLE
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.20251009 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS147330-32-3
- Purity/Analytical Methods: >99.0%
147330-32-3 / 5-(2-phenylphenyl)-2H-tetrazole
Basic Information
CAS
147330-32-3
Multi CAS
No
Molecular Formula
C13H10N4
Molecular Weight
222.240000
Exact Mass
222.090546
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3
InChI
InChI=1S/C13H10N4/c1-2-6-10(7-3-1)11-8-4-5-9-12(11)13-14-16-17-15-13/h1-9H,(H,14,15,16,17)
InChIKey
HLAYLOOJBAJIRU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.05
TPSA
54.46
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2.8
Consensus LogP
2.52
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
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)
-2.28
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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