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CAS 532-32-1 Sodium Benzoate [for Biochemical Research] molecular structure lightbox
CAS RN: 532-32-1

Sodium Benzoate [for Biochemical Research]

  • Product code: SSC-160401
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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: 500g
  • 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 532-32-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Hong Kong Inquiry

532-32-1 / sodium benzoate

Standard CAS: 532-32-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
532-32-1
Multi CAS
Yes
Molecular Formula
C7H5NAO2
Molecular Weight
144.100000
Exact Mass
144.018724
InChI
InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChIKey
WXMKPNITSTVMEF-UHFFFAOYSA-M

Physical Properties

Melting Point
for benzoic acidMelting range of benzoic acid isolated by acidification and not recrystallised 121,5 °C to 123,5 °C, after drying in a sulphuric acid desiccator 436 °C (OECD Guideline 102 (Melting point / Melting Range)) >300 °C
Boiling Point
>450 °C to
Density
1.50 g/cu cm (OECD Guideline 109 (Density of Liquids and Solids)) Relative density (water = 1): 1.44
Physical Description
Dry Powder; Liquid; Pellets or Large Crystals; Dry Powder, Pellets or Large Crystals A white, almost odourless, crystalline powder or granules White odorless solid; [Merck Index] Hygroscopic; [ICSC] White powder; WHITE HYGROSCOPIC CRYSTALLINE POWDER OR GRANULES
Appearance
White, granules or crystalline powder Colorless crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
30.77
TPSA
40.13

LogP / Solubility

WLOGP
-2.95
MLOGP
-2.6
XLogP3
-2.95
Consensus LogP
-2.83
Log S (ESOL)
0.74
Class (ESOL)
Highly soluble
Log S (Ali)
1.39
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.73
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)
-5.69

Drug-likeness / Medicinal Chemistry

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

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