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CAS 5598-38-9 HOMO-GAMMA-LINOLEICACID molecular structure lightbox
CAS RN: 5598-38-9

HOMO-GAMMA-LINOLEICACID

  • Product code: SSC-163910
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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: 1g
  • 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 5598-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

5598-38-9 / icosa-11,14-dienoic acid

Standard CAS: 5598-38-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5598-38-9
Multi CAS
Yes
Molecular Formula
C20H36O2
Molecular Weight
308.500000
Exact Mass
308.271530
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)
InChIKey
XSXIVVZCUAHUJO-UHFFFAOYSA-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

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