CAS RN: 553-97-9
p-Toluquinone
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260424 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260115 | 10g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250218 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250111 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250120 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: SSC-163167
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: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
553-97-9 / 2-methylcyclohexa-2,5-diene-1,4-dione
Basic Information
CAS
553-97-9
Multi CAS
Yes
Molecular Formula
C7H6O2
Molecular Weight
122.120000
Exact Mass
122.036779
InChI
InChI=1S/C7H6O2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey
VTWDKFNVVLAELH-UHFFFAOYSA-N
Physical Properties
Melting Point
69 °C
Density
1.08 @ 75.5 °C/4 °C
Physical Description
Yellow solid; [HSDB] Yellow, gold colored, or light green crystalline solid
Appearance
YELLOW PLATES OR NEEDLES
YELLOW LEAFLETS OR NEEDLES
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
32.91
TPSA
34.14
LogP / Solubility
WLOGP
0.64
MLOGP
0.55
XLogP3
0.7
Consensus LogP
0.63
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.01
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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