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CAS 689-89-4 Methyl sorbate molecular structure lightbox
CAS RN: 689-89-4

Methyl sorbate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 25g / 100g / 500g Out of stock 8-10 business days Inquiry
  • Product code: SSC-178568
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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: 100ml
  • 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 689-89-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100ml ≥97% 0 Out of Stock Shenzhen Inquiry

689-89-4 / methyl hexa-2,4-dienoate

Standard CAS: 689-89-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
689-89-4
Multi CAS
Yes
Molecular Formula
C7H10O2
Molecular Weight
126.150000
Exact Mass
126.068080
InChI
InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3
InChIKey
KWKVAGQCDSHWFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
35.97
TPSA
26.3

LogP / Solubility

WLOGP
1.29
MLOGP
1.13
XLogP3
1.6
Consensus LogP
1.34
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.57

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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