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CAS 2396-83-0 Ethyl 3-hexenoate molecular structure lightbox
CAS RN: 2396-83-0

Ethyl 3-hexenoate

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250408 100g In stock Inquiry
Batchno.20250427 25g In stock Inquiry
Batchno.20260423 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251116 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Guangdong, Shanghai 8-10 business days Inquiry
  • Product code: SSC-116925
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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: 100g
  • 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 2396-83-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

2396-83-0 / ethyl hex-3-enoate

Standard CAS: 2396-83-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2396-83-0
Multi CAS
No
Molecular Formula
C8H14O2
Molecular Weight
142.200000
Exact Mass
142.099380
SMILES
CCC=CCC(=O)OCC
InChI
InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3
InChIKey
VTSFIPHRNAESED-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.62
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
40.68
TPSA
26.3

LogP / Solubility

WLOGP
1.91
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.83
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.23

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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