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CAS 697-83-6 5-Chloro-2,4,6-trifluoropyrimidine molecular structure lightbox
CAS RN: 697-83-6

5-Chloro-2,4,6-trifluoropyrimidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251007 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-179426
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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: 5g
  • Available purity: >97%
  • 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 697-83-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

697-83-6 / 5-chloro-2,4,6-trifluoropyrimidine

Standard CAS: 697-83-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
697-83-6
Multi CAS
Yes
Molecular Formula
C4CLF3N2
Molecular Weight
168.500000
Exact Mass
167.970210
InChI
InChI=1S/C4ClF3N2/c5-1-2(6)9-4(8)10-3(1)7
InChIKey
GOYNRDSJTYLXBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
26.92
TPSA
25.78

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
2.1
Consensus LogP
1.67
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-2.65

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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