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CAS 68-04-2 Sodium citrate molecular structure lightbox
CAS RN: 68-04-2

Sodium citrate

  • Product code: SSC-177726
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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: 100g, 500g, 1000g, 5000g
  • Available purity: ≥97%
  • 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 68-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry
500g ≥97% 0 Out of Stock Hong Kong Inquiry
1000g ≥97% 0 Out of Stock Shanghai Inquiry
5000g ≥97% 0 Out of Stock Shenzhen Inquiry

68-04-2 / trisodium;2-hydroxypropane-1,2,3-tricarboxylate

Standard CAS: 68-04-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
68-04-2
Multi CAS
Yes
Molecular Formula
C6H5NA3O7
Molecular Weight
258.070000
Exact Mass
257.972835
InChI
InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChIKey
HRXKRNGNAMMEHJ-UHFFFAOYSA-K

Physical Properties

Melting Point
>300 °C
Boiling Point
BP: Decomposes at red heat /Dihydrate/
Physical Description
Dry Powder; Liquid; Dry Powder, Liquid, Other Solid; Other Solid; Liquid, Other Solid Liquid Crystalline white powder or colourless crystals White solid; [ICSC] White odorless solid; [JECFA] White crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
29.2
TPSA
140.62

LogP / Solubility

WLOGP
-14.24
MLOGP
-12.52
XLogP3
-14.24
Consensus LogP
-13.67
Log S (ESOL)
7.86
Class (ESOL)
Highly soluble
Log S (Ali)
8.61
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
9.88
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)
-14.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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