CAS RN: 721402-02-4
4-BROMO-1,5-DIMETHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE
- Product code: SSC-181675
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 | Hong Kong | Inquiry |
721402-02-4 / 4-bromo-1,5-dimethyl-3-(trifluoromethyl)pyrazole
Basic Information
CAS
721402-02-4
Multi CAS
Yes
Molecular Formula
BC6H6N2Rf3
Molecular Weight
243.020000
Exact Mass
241.966650
InChI
InChI=1S/C6H6BrF3N2/c1-3-4(7)5(6(8,9)10)11-12(3)2/h1-2H3
InChIKey
IFCNTZRBBLIUMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
40.65
TPSA
17.82
LogP / Solubility
WLOGP
2.51
MLOGP
2.21
XLogP3
2.2
Consensus LogP
2.31
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.42
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 721415-74-3 5-(3,4-DIMETHOXY-PHENYL)-4-(3-METHOXY-PROPYL)-4H-[1,2,4]TRIAZOLE-3-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2668002.gif)