CAS RN: 2836-44-4
4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine
- Product code: SSC-129490
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, 10g, 25g, 100g, 500g
- Available purity: >97%
- Inventory rows with stock: 5
- 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 | >97% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 5 In Stock | Beijing | Inquiry |
| 10g | >97% | 1 In Stock | Shanghai | Inquiry |
| 25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 1 In Stock | Beijing | Inquiry |
| 500g | >97% | 0 Out of Stock | Shanghai | Inquiry |
2836-44-4 / 2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
Basic Information
CAS
2836-44-4
Multi CAS
Yes
Molecular Formula
C6H5F3N2O
Molecular Weight
178.110000
Exact Mass
178.035397
InChI
InChI=1S/C6H5F3N2O/c1-3-10-4(6(7,8)9)2-5(12)11-3/h2H,1H3,(H,10,11,12)
InChIKey
DBDRDWKBAGNHHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.6
TPSA
45.75
LogP / Solubility
WLOGP
1.1
MLOGP
0.96
XLogP3
0.2
Consensus LogP
0.75
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
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)
-3.03
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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