CAS RN: 401-73-0
3-(TRIFLUOROMETHYL)-2-PYRAZOLIN-5-ONE
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.20250305 | 5g / 10g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-148067
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: ≥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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
401-73-0 / 3-(trifluoromethyl)-1,4-dihydropyrazol-5-one
Basic Information
CAS
401-73-0
Multi CAS
Yes
Molecular Formula
C4F3H3N2O
Molecular Weight
152.070000
Exact Mass
152.019747
InChI
InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-3(10)9-8-2/h1H2,(H,9,10)
InChIKey
PMTWALQJNWEDLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
26.25
TPSA
41.46
LogP / Solubility
WLOGP
0.42
MLOGP
0.37
XLogP3
0.6
Consensus LogP
0.46
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
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)
-3.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
