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CAS 51828-94-5 Calcium 3-Methyl-2-oxobutyrate molecular structure lightbox
CAS RN: 51828-94-5

Calcium 3-Methyl-2-oxobutyrate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250316 100g Out of stock Inquiry
Batchno.20260529 25g In stock Inquiry
Batchno.20250503 5g In stock Inquiry
  • Product code: SSC-158851
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 51828-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

51828-94-5 / calcium bis(3-methyl-2-oxobutanoate)

Standard CAS: 51828-94-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51828-94-5
Multi CAS
Yes
Molecular Formula
C10H14CAO6
Molecular Weight
270.290000
Exact Mass
270.041629
InChI
InChI=1S/2C5H8O3.Ca/c2*1-3(2)4(6)5(7)8;/h2*3H,1-2H3,(H,7,8);/q;;+2/p-2
InChIKey
IMZGMVJQWNJKCI-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
55.46
TPSA
114.4

LogP / Solubility

WLOGP
-2.46
MLOGP
-2.15
XLogP3
-2.46
Consensus LogP
-2.36
Log S (ESOL)
0.3
Class (ESOL)
Highly soluble
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.14
Class (SILICOS-IT)
Highly 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)
-6.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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