CAS RN: 942920-12-9
4-broMo-1-ethyl-3-(4-nitrophenyl)-1H-pyrazole
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.20260618 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-208954
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
942920-12-9 / 4-bromo-1-ethyl-3-(4-nitrophenyl)pyrazole
Basic Information
CAS
942920-12-9
Multi CAS
No
Molecular Formula
BC11H10O2Rn3
Molecular Weight
296.120000
Exact Mass
294.995640
InChI
InChI=1S/C11H10BrN3O2/c1-2-14-7-10(12)11(13-14)8-3-5-9(6-4-8)15(16)17/h3-7H,2H2,1H3
InChIKey
FVDDHDMMSRVABH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
67.69
TPSA
60.96
LogP / Solubility
WLOGP
3.24
MLOGP
2.86
XLogP3
2.7
Consensus LogP
2.93
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly 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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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