CAS RN: 60061-68-9
4-Bromo-3-methyl-5-(trifluoromethyl)pyrazole
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251021 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250110 | 10g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250415 | 1g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20251023 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250125 | 500g | Out of stock | Inquiry | |
| Batchno.20260130 | 5g | In stock | Shanghai, Shenzhen, Chengdu | Inquiry |
- Product code: SSC-168645
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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
60061-68-9 / 4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazole
Basic Information
CAS
60061-68-9
Multi CAS
No
Molecular Formula
BC5H4N2Rf3
Molecular Weight
229.000000
Exact Mass
227.951000
InChI
InChI=1S/C5H4BrF3N2/c1-2-3(6)4(11-10-2)5(7,8)9/h1H3,(H,10,11)
InChIKey
PDSOUBXNWWZCNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.03
TPSA
28.68
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
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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![CAS 120068-79-3 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a3230-jpgcontextbwfzdgvyfhjvb3r8mzuynjh8aw1hz2uvanblz3xonzmvadbilzg5mjg0nzq5ntu4mdyvqtmymzauanbnfgzjowewngq0ytayztdlyjq1yzbjmtljoddjymi0m2y4zmjhmjbhyzmwzjg5zgfimjq2mdi0mzbmzdkxytuzn2u.jpeg)
