CAS RN: 705-24-8
4,6-DICHLORO-2-TRIFLUOROMETHYLPYRIMIDINE, 95+%
- Product code: SSC-180272
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, 10g, 100g, 5g, 0.25g, 25g
- 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 |
|---|---|---|---|---|
| 1g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 100g | >97% | 5 In Stock | Beijing | Inquiry |
| 5g | >97% | 4 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 3 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 2 In Stock | Beijing | Inquiry |
705-24-8 / 4,6-dichloro-2-(trifluoromethyl)pyrimidine
Basic Information
CAS
705-24-8
Multi CAS
No
Molecular Formula
C5HCL2F3N2
Molecular Weight
216.970000
Exact Mass
215.946888
InChI
InChI=1S/C5HCl2F3N2/c6-2-1-3(7)12-4(11-2)5(8,9)10/h1H
InChIKey
QFWVAJQVYBRTCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
37.05
TPSA
25.78
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
3
Consensus LogP
2.76
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly 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)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
