![CAS 446276-22-8 3-[1,1′-BIPHENYL]-4-YL-1H-PYRAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB9107021.gif)
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
446276-22-8 / 5-(4-phenylphenyl)-1H-pyrazole
Basic Information
CAS
446276-22-8
Multi CAS
No
Molecular Formula
C15H12N2
Molecular Weight
220.270000
Exact Mass
220.100048
InChI
InChI=1S/C15H12N2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)15-10-11-16-17-15/h1-11H,(H,16,17)
InChIKey
DSMVTVVOTMNIHE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
17
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
69.46
TPSA
28.68
LogP / Solubility
WLOGP
3.74
MLOGP
3.3
XLogP3
3.5
Consensus LogP
3.51
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.41
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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