CAS RN: 96819-53-3
2,4-Dichloro-5-fluoro-6-trifluoromethyl-pyrimidine
- Product code: SSC-212112
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
96819-53-3 / 2,4-dichloro-5-fluoro-6-(trifluoromethyl)pyrimidine
Basic Information
CAS
96819-53-3
Multi CAS
No
Molecular Formula
C5CL2F4N2
Molecular Weight
234.960000
Exact Mass
233.937466
InChI
InChI=1S/C5Cl2F4N2/c6-3-1(8)2(5(9,10)11)12-4(7)13-3
InChIKey
CIHLUYLTNRVKEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
37.01
TPSA
25.78
LogP / Solubility
WLOGP
2.94
MLOGP
2.59
XLogP3
3.1
Consensus LogP
2.88
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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)
-2.06
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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