CAS RN: 2396-84-1
Ethyl Sorbate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260325 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: SSC-116926
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, 100g, 500g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
2396-84-1 / ethyl hexa-2,4-dienoate
Basic Information
CAS
2396-84-1
Multi CAS
No
Molecular Formula
C8H12O2
Molecular Weight
140.180000
Exact Mass
140.083730
SMILES
CCOC(=O)C=CC=CC
InChI
InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3
InChIKey
OZZYKXXGCOLLLO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
40.59
TPSA
26.3
LogP / Solubility
WLOGP
1.68
MLOGP
1.47
XLogP3
1.9
Consensus LogP
1.68
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately 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)
-2.38
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
