[email protected]
CAS 2091-39-6 11C,14C-EICOSADIENOIC ACID molecular structure lightbox
CAS RN: 2091-39-6

11C,14C-EICOSADIENOIC ACID

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250729 100mg In stock Inquiry
Batchno.20250513 1g Out of stock Inquiry
Batchno.20260512 500mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250719 5mg / 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS2091-39-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2091-39-6 / (11E,14E)-icosa-11,14-dienoic acid

Standard CAS: 2091-39-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2091-39-6
Multi CAS
No
Molecular Formula
C20H36O2
Molecular Weight
308.500000
Exact Mass
308.271530
SMILES
CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)O
InChI
InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6+,10-9+
InChIKey
XSXIVVZCUAHUJO-AVQMFFATSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.75
Rotatable bonds
16
H-bond acceptors
1
H-bond donors
1
Molar refractivity
96.23
TPSA
37.3

LogP / Solubility

WLOGP
6.66
MLOGP
5.88
XLogP3
7.9
Consensus LogP
6.81
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.12
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)
0.13

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