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CAS 2802-62-2 4,6-Difluoropyrimidine molecular structure lightbox
CAS RN: 2802-62-2

4,6-Difluoropyrimidine

  • Product code: SSC-128592
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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: ≥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 2802-62-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

2802-62-2 / 4,6-difluoropyrimidine

Standard CAS: 2802-62-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
2802-62-2
Multi CAS
Yes
Molecular Formula
C4F2H2N2
Molecular Weight
116.070000
Exact Mass
116.018604
InChI
InChI=1S/C4H2F2N2/c5-3-1-4(6)8-2-7-3/h1-2H
InChIKey
MCLDVUCSDZGNRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
21.95
TPSA
25.78

LogP / Solubility

WLOGP
0.75
MLOGP
0.65
XLogP3
1.1
Consensus LogP
0.83
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
Class (SILICOS-IT)
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)
-2.89

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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