CAS RN: 86404-63-9
2-(1H-1,2,4-Triazol-1-yl)-2′,4′-difluoroacetophenone
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260609 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: SSC-195415
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: 100g, 25g, 10g, 5g, 1000g
- Available purity: >97%
- Inventory rows with stock: 8
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | -- | 5 In Stock | Beijing | Inquiry |
| 100g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 25g | -- | 4 In Stock | Shanghai | Inquiry |
| 25g | >97% | 4 In Stock | Hong Kong | Inquiry |
| 10g | -- | 2 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 2 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Beijing | Inquiry |
| 5g | >97% | 1 In Stock | Shanghai | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
86404-63-9 / 1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
Basic Information
CAS
86404-63-9
Multi CAS
Yes
Molecular Formula
C10F2H7N3O
Molecular Weight
223.180000
Exact Mass
223.055718
InChI
InChI=1S/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChIKey
XCHRPVARHBCFMJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
50.71
TPSA
47.78
LogP / Solubility
WLOGP
1.44
MLOGP
1.27
XLogP3
1.7
Consensus LogP
1.47
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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