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CAS 19355-04-5 3-Methoxy-4-nitropyridine N-oxide molecular structure lightbox
CAS RN: 19355-04-5

3-Methoxy-4-nitropyridine N-oxide

  • Product code: SSC-091160
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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 19355-04-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

19355-04-5 / 3-methoxy-4-nitro-1-oxidopyridin-1-ium

Standard CAS: 19355-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19355-04-5
Multi CAS
No
Molecular Formula
C6H6N2O4
Molecular Weight
170.120000
Exact Mass
170.032757
SMILES
COC1=C(C=C[N+](=C1)[O-])[N+](=O)[O-]
InChI
InChI=1S/C6H6N2O4/c1-12-6-4-7(9)3-2-5(6)8(10)11/h2-4H,1H3
InChIKey
YTTSNODVMTUELN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
38.61
TPSA
79.31

LogP / Solubility

WLOGP
0.24
MLOGP
0.2
XLogP3
-0.3
Consensus LogP
0.05
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.59

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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