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CAS 22866-50-8 2,4-Bis[(hydroxyimino)methyl]pyridine molecular structure lightbox
CAS RN: 22866-50-8

2,4-Bis[(hydroxyimino)methyl]pyridine

  • Product code: SSC-111237
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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 22866-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

22866-50-8 / (NE)-N-[[2-[(E)-hydroxyiminomethyl]-4-pyridinyl]methylidene]hydroxylamine

Standard CAS: 22866-50-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22866-50-8
Multi CAS
No
Molecular Formula
C7H7N3O2
Molecular Weight
165.150000
Exact Mass
165.053826
SMILES
C1=CN=C(C=C1/C=N/O)/C=N/O
InChI
InChI=1S/C7H7N3O2/c11-9-4-6-1-2-8-7(3-6)5-10-12/h1-5,11-12H/b9-4+,10-5+
InChIKey
QEBAKUDDWKSFCV-LUZURFALSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
43
TPSA
78.07

LogP / Solubility

WLOGP
0.7
MLOGP
0.61
XLogP3
0.6
Consensus LogP
0.64
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.23

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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