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CAS 2580-79-2 DIAMINOGLYOXIME molecular structure lightbox
CAS RN: 2580-79-2

DIAMINOGLYOXIME

  • Product code: SSC-122350
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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: 25g
  • 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 2580-79-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

2580-79-2 / 1-N',2-N'-dihydroxyethanediimidamide

Standard CAS: 2580-79-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2580-79-2
Multi CAS
No
Molecular Formula
C2H6N4O2
Molecular Weight
118.100000
Exact Mass
118.049075
SMILES
C(=N\O)(\N)/C(=N/O)/N
InChI
InChI=1S/C2H6N4O2/c3-1(5-7)2(4)6-8/h7-8H,(H2,3,5)(H2,4,6)
InChIKey
BFXWFQSYMVKOCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
26.82
TPSA
117.22

LogP / Solubility

WLOGP
-1.52
MLOGP
-1.35
XLogP3
0.1
Consensus LogP
-0.92
Log S (ESOL)
0.39
Class (ESOL)
Highly soluble
Log S (Ali)
0.57
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.83
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.52

Drug-likeness / Medicinal Chemistry

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

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