CAS RN: 1325728-09-3
1,3,5-Tris(pyrazol-4-yl)benzene
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250321 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251014 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250916 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250308 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250220 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-039398
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1325728-09-3 / 4-[3,5-bis(1H-pyrazol-4-yl)phenyl]-1H-pyrazole
Basic Information
CAS
1325728-09-3
Multi CAS
No
Molecular Formula
C15H12N6
Molecular Weight
276.300000
Exact Mass
276.112344
SMILES
C1=C(C=C(C=C1C2=CNN=C2)C3=CNN=C3)C4=CNN=C4
InChI
InChI=1S/C15H12N6/c1-10(13-4-16-17-5-13)2-12(15-8-20-21-9-15)3-11(1)14-6-18-19-7-14/h1-9H,(H,16,17)(H,18,19)(H,20,21)
InChIKey
KPOMEKVZZCIYOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
21
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
79.19
TPSA
86.04
LogP / Solubility
WLOGP
2.86
MLOGP
2.52
XLogP3
1.7
Consensus LogP
2.36
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
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)
-2.38
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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