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CAS 522-27-0 ALPHA-FURIL DIOXIME molecular structure lightbox
CAS RN: 522-27-0

ALPHA-FURIL DIOXIME

  • Product code: SSC-159292
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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 522-27-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

522-27-0 / (NZ)-N-[(2E)-1,2-bis(furan-2-yl)-2-hydroxyiminoethylidene]hydroxylamine

Standard CAS: 522-27-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
522-27-0
Multi CAS
Yes
Molecular Formula
C10H8N2O4
Molecular Weight
220.180000
Exact Mass
220.048407
InChI
InChI=1S/C10H8N2O4/c13-11-9(7-3-1-5-15-7)10(12-14)8-4-2-6-16-8/h1-6,13-14H/b11-9-,12-10+
InChIKey
RBOZTFPIXJBLPK-DSOJMZEYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
54.06
TPSA
91.46

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
2.2
Consensus LogP
1.94
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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