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CAS 105-11-3 1,4-Benzoquinone Dioxime molecular structure lightbox
CAS RN: 105-11-3

1,4-Benzoquinone Dioxime

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250206 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: SSC-006765
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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: 100g
  • 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 105-11-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

105-11-3 / N-(4-nitrosophenyl)hydroxylamine

1,4-Benzoquinone dioxime | p-Benzoquinonedioxime | p-Quinone dioxime

Standard CAS: 105-11-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105-11-3
Multi CAS
Yes
Molecular Formula
C6H6N2O2
Molecular Weight
138.120000
Exact Mass
138.042927
SMILES
C1=CC(=CC=C1NO)N=O
InChI
InChI=1S/C6H6N2O2/c9-7-5-1-2-6(8-10)4-3-5/h1-4,7,9H
InChIKey
DZCCLNYLUGNUKQ-UHFFFAOYSA-N
Synonyms
1,4-Benzoquinone dioxime p-Benzoquinonedioxime p-Quinone dioxime P-BENZOQUINONE DIOXIME Quinone dioxime

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
37.31
TPSA
61.69

LogP / Solubility

WLOGP
1.89
MLOGP
1.65
XLogP3
1.1
Consensus LogP
1.55
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-2.22

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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