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CAS 582-25-2 Potassium benzoate molecular structure lightbox
CAS RN: 582-25-2

Potassium benzoate

  • Product code: SSC-166443
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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: ≥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 582-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Shanghai Inquiry

582-25-2 / potassium benzoate

Standard CAS: 582-25-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
582-25-2
Multi CAS
Yes
Molecular Formula
C7H5KO2
Molecular Weight
160.210000
Exact Mass
159.992661
InChI
InChI=1S/C7H6O2.K/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
InChIKey
XAEFZNCEHLXOMS-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 vacuum drying in a sulphuric acid desiccator
Physical Description
Pellets or Large Crystals White crystalline powder White solid; [Reference #1] White 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)
0.64
Class (ESOL)
Highly soluble
Log S (Ali)
1.25
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.62
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)
-5.79

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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