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CAS 96819-55-5 4,6-Dichloro-5-fluoro-2-(trifluoromethyl) pyrimidine molecular structure lightbox
CAS RN: 96819-55-5

4,6-Dichloro-5-fluoro-2-(trifluoromethyl) pyrimidine

  • Product code: SSC-212113
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 96819-55-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

96819-55-5 / 4,6-dichloro-5-fluoro-2-(trifluoromethyl)pyrimidine

Standard CAS: 96819-55-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96819-55-5
Multi CAS
No
Molecular Formula
C5CL2F4N2
Molecular Weight
234.960000
Exact Mass
233.937466
InChI
InChI=1S/C5Cl2F4N2/c6-2-1(8)3(7)13-4(12-2)5(9,10)11
InChIKey
OLRZQFAZUSRNRR-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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