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CAS 51828-93-4 Calcium phenylpyruvate molecular structure lightbox
CAS RN: 51828-93-4

Calcium phenylpyruvate

  • Product code: SSC-158850
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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: 0.25g
  • 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 51828-93-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

51828-93-4 / calcium bis(2-oxo-3-phenylpropanoate)

Standard CAS: 51828-93-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51828-93-4
Multi CAS
Yes
Molecular Formula
C18H14CAO6
Molecular Weight
366.400000
Exact Mass
366.041629
InChI
InChI=1S/2C9H8O3.Ca/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;/h2*1-5H,6H2,(H,11,12);/q;;+2/p-2
InChIKey
BKMMOJVSLBZNTK-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
86.07
TPSA
114.4

LogP / Solubility

WLOGP
-1.28
MLOGP
-1.11
XLogP3
-1.28
Consensus LogP
-1.22
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-5.87

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

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