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CAS 761427-85-4 2,1,3-Benzoxadiazole,5,6-difluoro-(9CI) molecular structure lightbox
CAS RN: 761427-85-4

2,1,3-Benzoxadiazole,5,6-difluoro-(9CI)

  • Product code: SSC-185578
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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 761427-85-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

761427-85-4 / 5,6-difluoro-2,1,3-benzoxadiazole

Standard CAS: 761427-85-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
761427-85-4
Multi CAS
No
Molecular Formula
C6F2H2N2O
Molecular Weight
156.090000
Exact Mass
156.013519
InChI
InChI=1S/C6H2F2N2O/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChIKey
KYJUQOKUYVSJJF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
31.72
TPSA
38.92

LogP / Solubility

WLOGP
1.5
MLOGP
1.32
XLogP3
1.4
Consensus LogP
1.41
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61

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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