CAS RN: 6289-46-9
Dimethyl 1,4-Cyclohexanedione-2,5-dicarboxylate
Product Availability
Choose a grade to view its available package options.
12 package records12 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250401 | 50g / 250g / 1kg / 5kg | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251204 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250716 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20260701 | 25g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250207 | 500g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20251209 | 5kg | In stock | Shanghai | Inquiry |
- Product code: SSC-172273
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: 500g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 500g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
6289-46-9 / dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
Basic Information
CAS
6289-46-9
Multi CAS
No
Molecular Formula
C10H12O6
Molecular Weight
228.200000
Exact Mass
228.063388
InChI
InChI=1S/C10H12O6/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h5-6H,3-4H2,1-2H3
InChIKey
MHKKFFHWMKEBDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
50.26
TPSA
86.74
LogP / Solubility
WLOGP
-0.5
MLOGP
-0.44
XLogP3
-0.4
Consensus LogP
-0.45
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
