CAS RN: 51828-95-6
Calcium 4-Methyl-2-oxovalerate
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260323 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: SSC-158852
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: 5g
- Available purity: ＞95%
- 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 |
|---|---|---|---|---|
| 5g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
51828-95-6 / calcium bis(4-methyl-2-oxopentanoate)
Basic Information
CAS
51828-95-6
Multi CAS
Yes
Molecular Formula
C12H18CAO6
Molecular Weight
298.350000
Exact Mass
298.072929
InChI
InChI=1S/2C6H10O3.Ca/c2*1-4(2)3-5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
InChIKey
WQZNGJIBHXYVNW-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
64.69
TPSA
114.4
LogP / Solubility
WLOGP
-1.68
MLOGP
-1.46
XLogP3
-1.68
Consensus LogP
-1.61
Log S (ESOL)
-0.24
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
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)
-5.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
