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CAS 28305-25-1 Calcium L-lactate molecular structure lightbox
CAS RN: 28305-25-1

Calcium L-lactate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250121 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: starshine_CAS28305-25-1
  • Purity/Analytical Methods: >99.0%
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28305-25-1 / calcium bis(2-hydroxypropanoate)

Standard CAS: 28305-25-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
28305-25-1
Multi CAS
No
Molecular Formula
C6H10CaO6
Molecular Weight
218.220000
Exact Mass
218.010329
SMILES
CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Ca+2]
InChI
InChI=1S/2C3H6O3.Ca/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2/t2*2-;/m00./s1
InChIKey
MKJXYGKVIBWPFZ-CEOVSRFSSA-L

Physical Properties

Melting Point
> 120
Physical Description
Dry Powder Almost odourless, white crystalline powder or granules White solid; Soluble in water; [HSDB] White crystalline powder; Soluble in water
Appearance
White, crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
39.13
TPSA
120.72

LogP / Solubility

WLOGP
-4.15
MLOGP
-3.65
XLogP3
-4.15
Consensus LogP
-3.98
Log S (ESOL)
1.55
Class (ESOL)
Highly soluble
Log S (Ali)
1.64
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.12
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

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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