CAS RN: 1203556-18-6
4-bromo-1-(4-(trifluoromethyl)phenyl)-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.20260412 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-021217
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
1203556-18-6 / 4-bromo-1-[4-(trifluoromethyl)phenyl]pyrazole
4-bromo-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole | 4-bromo-1-[4-(trifluoromethyl)phenyl]pyrazole | 4-bromo-1-(4-trifluoromethylphenyl)pyrazole
Basic Information
CAS
1203556-18-6
Multi CAS
No
Molecular Formula
C10H6BrF3N2
Molecular Weight
291.070000
Exact Mass
289.966650
SMILES
C1=CC(=CC=C1C(F)(F)F)N2C=C(C=N2)Br
InChI
InChI=1S/C10H6BrF3N2/c11-8-5-15-16(6-8)9-3-1-7(2-4-9)10(12,13)14/h1-6H
InChIKey
LMPAUJFYIDBMTG-UHFFFAOYSA-N
Synonyms
4-bromo-1-(4-(trifluoromethyl)phenyl)-1H-pyrazole
4-bromo-1-[4-(trifluoromethyl)phenyl]pyrazole
4-bromo-1-(4-trifluoromethylphenyl)pyrazole
MFCD21100059
SCHEMBL5130095
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56.27
TPSA
17.82
LogP / Solubility
WLOGP
3.65
MLOGP
3.23
XLogP3
3.5
Consensus LogP
3.46
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
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)
-1.9
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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