CAS RN: 516455-58-6
1-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-5-ol
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.20250322 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS516455-58-6
- Purity/Analytical Methods: >99.0%
516455-58-6 / 2-(1H-benzimidazol-2-yl)-5-phenyl-1H-pyrazol-3-one
Basic Information
CAS
516455-58-6
Multi CAS
No
Molecular Formula
C16H12N4O
Molecular Weight
276.290000
Exact Mass
276.101111
InChI
InChI=1S/C16H12N4O/c21-15-10-14(11-6-2-1-3-7-11)19-20(15)16-17-12-8-4-5-9-13(12)18-16/h1-10,19H,(H,17,18)
InChIKey
ZQVWBWDSXXBVDK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
20
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
81.48
TPSA
66.47
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
3
Consensus LogP
2.7
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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