CAS RN: 5231-87-8
3,4-Diethoxy-3-cyclobutene-1,2-dione
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250522 | 100g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250908 | 10g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250611 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20250810 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20250202 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20251217 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20260324 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-159400
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 4 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
5231-87-8 / 3,4-diethoxycyclobut-3-ene-1,2-dione
Basic Information
CAS
5231-87-8
Multi CAS
Yes
Molecular Formula
C8H10O4
Molecular Weight
170.160000
Exact Mass
170.057909
InChI
InChI=1S/C8H10O4/c1-3-11-7-5(9)6(10)8(7)12-4-2/h3-4H2,1-2H3
InChIKey
DFSFLZCLKYZYRD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
4
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
43.69
TPSA
52.6
LogP / Solubility
WLOGP
0.08
MLOGP
0.07
XLogP3
0.7
Consensus LogP
0.28
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
Class (SILICOS-IT)
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)
-3.7
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
