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CAS 75006-64-3 Dimethylglyoxime Disodium Salt Octahydrate molecular structure lightbox
CAS RN: 75006-64-3

Dimethylglyoxime Disodium Salt Octahydrate

  • Product code: SSC-184527
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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 75006-64-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Shanghai Inquiry

75006-64-3 / disodium;2-N,3-N-dioxidobutane-2,3-diimine

Standard CAS: 75006-64-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
75006-64-3
Multi CAS
Yes
Molecular Formula
C4H6N2NA2O2
Molecular Weight
160.080000
Exact Mass
160.022466
InChI
InChI=1S/C4H8N2O2.2Na/c1-3(5-7)4(2)6-8;;/h7-8H,1-2H3;;/q;2*+1/p-2
InChIKey
QLTLFMCLBXKKCR-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
32.95
TPSA
70.84

LogP / Solubility

WLOGP
-5.09
MLOGP
-4.48
XLogP3
-5.09
Consensus LogP
-4.89
Log S (ESOL)
2.44
Class (ESOL)
Highly soluble
Log S (Ali)
2.8
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.4
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)
-7.31

Drug-likeness / Medicinal Chemistry

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

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