CAS RN: 882697-00-9
3-(1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1H-pyrazole
Product Availability
Choose a grade to view its available package options.
13 package records12 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260326 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260411 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250728 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250817 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250829 | 250mg | Out of stock | Inquiry | |
| Batchno.20251016 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250204 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250515 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250207 | 5mg / 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-198820
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
882697-00-9 / 5-(1,3-benzodioxol-5-yl)-3-(3-bromophenyl)-1H-pyrazole
Basic Information
CAS
882697-00-9
Multi CAS
Yes
Molecular Formula
BC16H11O2Rn2
Molecular Weight
343.170000
Exact Mass
342.000390
InChI
InChI=1S/C16H11BrN2O2/c17-12-3-1-2-10(6-12)13-8-14(19-18-13)11-4-5-15-16(7-11)21-9-20-15/h1-8H,9H2,(H,18,19)
InChIKey
RCQIIBJSUWYYFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.28
TPSA
47.14
LogP / Solubility
WLOGP
4.23
MLOGP
3.74
XLogP3
4
Consensus LogP
3.99
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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