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CAS 120-52-5 4,4′-Dibenzoylquinone Dioxime molecular structure lightbox
CAS RN: 120-52-5

4,4′-Dibenzoylquinone Dioxime

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250711 100g Out of stock Inquiry
Batchno.20250524 25g In stock Inquiry
Batchno.20260118 500g Out of stock Inquiry
  • Product code: SSC-020794
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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: ≥98%
  • 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 120-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

120-52-5 / [(4-benzoyloxyiminocyclohexa-2,5-dien-1-ylidene)amino] benzoate

2,5-Cyclohexadiene-1,4-dione, bis(O-benzoyloxime) | 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime) | p-Benzoquinone bis(O-benzoyloxime)

Standard CAS: 120-52-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120-52-5
Multi CAS
Yes
Molecular Formula
C20H14N2O4
Molecular Weight
346.300000
Exact Mass
346.095357
SMILES
C1=CC=C(C=C1)C(=O)ON=C2C=CC(=NOC(=O)C3=CC=CC=C3)C=C2
InChI
InChI=1S/C20H14N2O4/c23-19(15-7-3-1-4-8-15)25-21-17-11-13-18(14-12-17)22-26-20(24)16-9-5-2-6-10-16/h1-14H
InChIKey
WMVSVUVZSYRWIY-UHFFFAOYSA-N
Synonyms
2,5-Cyclohexadiene-1,4-dione, bis(O-benzoyloxime) 2,5-Cyclohexadiene-1,4-dione, 1,4-bis(O-benzoyloxime) p-Benzoquinone bis(O-benzoyloxime) DTXSID20883312 RefChem:444169

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
96.87
TPSA
77.32

LogP / Solubility

WLOGP
3.54
MLOGP
3.13
XLogP3
4.1
Consensus LogP
3.59
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids] H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501

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