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CAS 7757-81-5 Sodium Sorbate molecular structure lightbox
CAS RN: 7757-81-5

Sodium Sorbate

  • Product code: SSC-187130
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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 7757-81-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

7757-81-5 / sodium (2E,4E)-hexa-2,4-dienoate

Standard CAS: 7757-81-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7757-81-5
Multi CAS
Yes
Molecular Formula
C6H7NAO2
Molecular Weight
134.110000
Exact Mass
134.034374
InChI
InChI=1S/C6H8O2.Na/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H,7,8);/q;+1/p-1/b3-2+,5-4+;
InChIKey
LROWVYNUWKVTCU-STWYSWDKSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
28.96
TPSA
40.13

LogP / Solubility

WLOGP
-3.13
MLOGP
-2.76
XLogP3
-3.13
Consensus LogP
-3.01
Log S (ESOL)
1.43
Class (ESOL)
Highly soluble
Log S (Ali)
1.6
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.82
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)
-5.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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