CAS RN: 401517-15-5
4-CHLORO-3-TRIFLUOROMETHYL-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.20260109 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-148147
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 1g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
401517-15-5 / 4-chloro-5-(trifluoromethyl)-1H-pyrazole
Basic Information
CAS
401517-15-5
Multi CAS
No
Molecular Formula
C4H2CLF3N2
Molecular Weight
170.520000
Exact Mass
169.985860
InChI
InChI=1S/C4H2ClF3N2/c5-2-1-9-10-3(2)4(6,7)8/h1H,(H,9,10)
InChIKey
YTLDTZLZQMKURR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.6
TPSA
28.68
LogP / Solubility
WLOGP
2.08
MLOGP
1.83
XLogP3
1.8
Consensus LogP
1.9
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately 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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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