CAS RN: 3383-21-9
3,5-Di-tert-butyl-1,2-benzoquinone
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260331 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260513 | 1g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250113 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250123 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250829 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: SSC-139974
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
3383-21-9 / 3,5-ditert-butylcyclohexa-3,5-diene-1,2-dione
Basic Information
CAS
3383-21-9
Multi CAS
Yes
Molecular Formula
C14H20O2
Molecular Weight
220.310000
Exact Mass
220.146330
InChI
InChI=1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3
InChIKey
NOUZOVBGCDDMSX-UHFFFAOYSA-N
Physical Properties
Physical Description
Dark red crystalline solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
65.09
TPSA
34.14
LogP / Solubility
WLOGP
3.08
MLOGP
2.72
XLogP3
3.3
Consensus LogP
3.03
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly 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)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
