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CAS 1240622-62-1 5-Bromo-2,4-dichloro-6-(trifluoromethyl)pyrimidine molecular structure lightbox
CAS RN: 1240622-62-1

5-Bromo-2,4-dichloro-6-(trifluoromethyl)pyrimidine

  • Product code: SSC-027896
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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 1240622-62-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1240622-62-1 / 5-bromo-2,4-dichloro-6-(trifluoromethyl)pyrimidine

Standard CAS: 1240622-62-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240622-62-1
Multi CAS
No
Molecular Formula
C5BrCl2F3N2
Molecular Weight
295.870000
Exact Mass
293.857400
SMILES
C1(=C(N=C(N=C1Cl)Cl)C(F)(F)F)Br
InChI
InChI=1S/C5BrCl2F3N2/c6-1-2(5(9,10)11)12-4(8)13-3(1)7
InChIKey
XKQALTZZYLOATN-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
44.75
TPSA
25.78

LogP / Solubility

WLOGP
3.56
MLOGP
3.15
XLogP3
3.7
Consensus LogP
3.47
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly 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)
-1.99

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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