[email protected]
CAS 119798-44-6 6,9,12,15-octadecatetraenoic acid molecular structure lightbox
CAS RN: 119798-44-6

6,9,12,15-octadecatetraenoic acid

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251108 25mg / 50mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-020537
GET A QUOTE
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: 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 119798-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

119798-44-6 / ethyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate

Stearidonic Acid ethyl ester | ethyl octadeca-6,9,12,15-tetraenoate | Ethyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate

Standard CAS: 119798-44-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119798-44-6
Multi CAS
Yes
Molecular Formula
C20H32O2
Molecular Weight
304.500000
Exact Mass
304.240230
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OCC
InChI
InChI=1S/C20H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12,14-15H,3-4,7,10,13,16-19H2,1-2H3/b6-5-,9-8-,12-11-,15-14-
InChIKey
RIDOSNBWMUADGT-AFSLFLIVSA-N
Synonyms
Stearidonic Acid ethyl ester ethyl octadeca-6,9,12,15-tetraenoate Ethyl (6Z,9Z,12Z,15Z)-6,9,12,15-octadecatetraenoate SCHEMBL21670446 CHEBI:192237

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.55
Rotatable bonds
13
H-bond acceptors
2
Molar refractivity
95.8
TPSA
26.3

LogP / Solubility

WLOGP
5.92
MLOGP
5.22
XLogP3
5.9
Consensus LogP
5.68
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.11
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us