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CAS 52009-14-0 Calcium pyruvate molecular structure lightbox
CAS RN: 52009-14-0

Calcium pyruvate

  • Product code: SSC-159073
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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: 500g
  • 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 52009-14-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Shanghai Inquiry

52009-14-0 / calcium bis(2-oxopropanoate)

Standard CAS: 52009-14-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52009-14-0
Multi CAS
Yes
Molecular Formula
C6H6CAO6
Molecular Weight
214.190000
Exact Mass
213.979029
InChI
InChI=1S/2C3H4O3.Ca/c2*1-2(4)3(5)6;/h2*1H3,(H,5,6);/q;;+2/p-2
InChIKey
UZWMCCLZMHPPKW-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
37.13
TPSA
114.4

LogP / Solubility

WLOGP
-3.73
MLOGP
-3.28
XLogP3
-3.73
Consensus LogP
-3.58
Log S (ESOL)
1.31
Class (ESOL)
Highly soluble
Log S (Ali)
1.38
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.8
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)
-6.67

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

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