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CAS 2420-56-6 10E,12Z-octadecadienoic acid molecular structure lightbox
CAS RN: 2420-56-6

10E,12Z-octadecadienoic acid

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250406 1kg Out of stock Inquiry
Batchno.20250624 25g In stock Shanghai Inquiry
Batchno.20250613 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS2420-56-6
  • Purity/Analytical Methods: >99.0%
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2420-56-6 / (9E,12Z)-octadeca-9,12-dienoic acid

Standard CAS: 2420-56-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2420-56-6
Multi CAS
No
Molecular Formula
C18H32O2
Molecular Weight
280.400000
Exact Mass
280.240230
SMILES
CCCCC/C=C\C/C=C/CCCCCCCC(=O)O
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9+
InChIKey
OYHQOLUKZRVURQ-IXWMQOLASA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.72
Rotatable bonds
14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
86.99
TPSA
37.3

LogP / Solubility

WLOGP
5.88
MLOGP
5.19
XLogP3
6.8
Consensus LogP
5.96
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.05
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.25

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
1.5

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