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CAS 815-79-2 Calcium meso-Tartrate Trihydrate molecular structure lightbox
CAS RN: 815-79-2

Calcium meso-Tartrate Trihydrate

  • Product code: SSC-189923
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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: 1g
  • 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 815-79-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

815-79-2 / calcium (2S,3R)-2,3-dihydroxybutanedioate

Standard CAS: 815-79-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
815-79-2
Multi CAS
Yes
Molecular Formula
C4H4CAO6
Molecular Weight
188.150000
Exact Mass
187.963379
InChI
InChI=1S/C4H6O6.Ca/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2/t1-,2+;
InChIKey
GUPPESBEIQALOS-NUGIMEKKSA-L

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
27.78
TPSA
120.72

LogP / Solubility

WLOGP
-5.17
MLOGP
-4.55
XLogP3
-5.17
Consensus LogP
-4.96
Log S (ESOL)
2.45
Class (ESOL)
Highly soluble
Log S (Ali)
2.63
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.05
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)
-7.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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