CAS RN: 1048018-91-2
3-(Difluoromethyl)-1-Methyl-4,5-Dihydro-1H-Pyrazol-5-One(WXC02990)
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.20260628 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-006540
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 | Hong Kong | Inquiry |
1048018-91-2 / 5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one
3-(difluoromethyl)-1-methyl-1H-pyrazol-5(4H)-one | 3-(difluoromethyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one | 5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one
Basic Information
CAS
1048018-91-2
Multi CAS
No
Molecular Formula
C5H6F2N2O
Molecular Weight
148.110000
Exact Mass
148.044819
SMILES
CN1C(=O)CC(=N1)C(F)F
InChI
InChI=1S/C5H6F2N2O/c1-9-4(10)2-3(8-9)5(6)7/h5H,2H2,1H3
InChIKey
IDZHMJXCQWZTBQ-UHFFFAOYSA-N
Synonyms
3-(difluoromethyl)-1-methyl-1H-pyrazol-5(4H)-one
3-(difluoromethyl)-1-methyl-4,5-dihydro-1H-pyrazol-5-one
5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one
MFCD17240576
SCHEMBL877580
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
30.83
TPSA
32.67
LogP / Solubility
WLOGP
0.47
MLOGP
0.41
XLogP3
0.6
Consensus LogP
0.49
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
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)
-3.29
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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