CAS RN: 5993-98-6
4-CHLORO-2-METHYL-6-TRIFLUOROMETHYLPYRIMIDINE
- Product code: SSC-168502
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: 0.25g, 5g, 10g, 1g, 0.1g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.25g | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >97% | 5 In Stock | Beijing | Inquiry |
| 1g | >97% | 3 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 1 In Stock | Beijing | Inquiry |
| 25g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
5993-98-6 / 4-chloro-2-methyl-6-(trifluoromethyl)pyrimidine
Basic Information
CAS
5993-98-6
Multi CAS
No
Molecular Formula
C6H4CLF3N2
Molecular Weight
196.560000
Exact Mass
196.001510
InChI
InChI=1S/C6H4ClF3N2/c1-3-11-4(6(8,9)10)2-5(7)12-3/h2H,1H3
InChIKey
JYLBKMNTQSEPJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
36.78
TPSA
25.78
LogP / Solubility
WLOGP
2.46
MLOGP
2.16
XLogP3
2.5
Consensus LogP
2.37
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.17
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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