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CAS 5001-51-4 Calcium Lactobionate molecular structure lightbox
CAS RN: 5001-51-4

Calcium Lactobionate

  • Product code: SSC-156322
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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: 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 5001-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Beijing Inquiry

5001-51-4 / calcium bis(2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate)

Standard CAS: 5001-51-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5001-51-4
Multi CAS
Yes
Molecular Formula
C24H42CAO24
Molecular Weight
754.700000
Exact Mass
754.169193
InChI
InChI=1S/2C12H22O12.Ca/c2*13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;/h2*3-10,12-20H,1-2H2,(H,21,22);/q;;+2/p-2
InChIKey
RHEMCSSAABKPLI-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
49
Fraction Csp3
0.92
Rotatable bonds
16
H-bond acceptors
24
H-bond donors
16
Molar refractivity
143.26
TPSA
440.86

LogP / Solubility

WLOGP
-14.39
MLOGP
-12.59
XLogP3
-14.39
Consensus LogP
-13.79
Log S (ESOL)
5.6
Class (ESOL)
Highly soluble
Log S (Ali)
4.64
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.46
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-17.54

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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