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: 1g, 5g, 0.25g, 10g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 10
- 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 |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Hong Kong | Inquiry |
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 5 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 4 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 10g | -- | 4 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 4 In Stock | Shenzhen | Inquiry |
| 0.1g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 2 In Stock | Shenzhen | Inquiry |
1192479-36-9 / 2-chloro-5-fluoro-4,6-dimethylpyrimidine
2-Chloro-5-fluoro-4,6-dimethylpyrimidine | MFCD22571303 | Pyrimidine, 2-chloro-5-fluoro-4,6-dimethyl-
Basic Information
CAS
1192479-36-9
Multi CAS
No
Molecular Formula
C6H6ClFN2
Molecular Weight
160.580000
Exact Mass
160.020354
SMILES
CC1=C(C(=NC(=N1)Cl)C)F
InChI
InChI=1S/C6H6ClFN2/c1-3-5(8)4(2)10-6(7)9-3/h1-2H3
InChIKey
DWRLBBUURVUIEY-UHFFFAOYSA-N
Synonyms
2-Chloro-5-fluoro-4,6-dimethylpyrimidine
MFCD22571303
Pyrimidine, 2-chloro-5-fluoro-4,6-dimethyl-
SCHEMBL1586151
DWRLBBUURVUIEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
36.47
TPSA
25.78
LogP / Solubility
WLOGP
1.89
MLOGP
1.65
XLogP3
2.1
Consensus LogP
1.88
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-2.36
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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