CAS RN: 1255735-09-1
3-(DifluoroMethyl)-5-fluoro-1-Methyl-1H-Pyrazole-4-carboxylic acid
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.20250508 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-030333
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 | Shenzhen | Inquiry |
1255735-09-1 / 3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxylic acid
Basic Information
CAS
1255735-09-1
Multi CAS
No
Molecular Formula
C6H5F3N2O2
Molecular Weight
194.110000
Exact Mass
194.030312
SMILES
CN1C(=C(C(=N1)C(F)F)C(=O)O)F
InChI
InChI=1S/C6H5F3N2O2/c1-11-5(9)2(6(12)13)3(10-11)4(7)8/h4H,1H3,(H,12,13)
InChIKey
AXJCNOQHTJLWDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.08
TPSA
55.12
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
0.8
Consensus LogP
1.01
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-3.06
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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