CAS RN: 1783-84-2

all cis-8,11,14-Eicosatrienoic Acid

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12 package records12 with current stock4 grade groups
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Batchno.20260508 100mg In stock Shanghai Inquiry
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  • Product code: ICTE0640
  • Purity/Analytical Methods: >98.0%(GC)
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1783-84-2 / (8Z,11Z,14Z)-icosa-8,11,14-trienoic acid

Standard CAS: 1783-84-2 Multi CAS: No

Basic Information

CAS
1783-84-2
Multi CAS
No
Molecular Formula
C20H34O2
Molecular Weight
306.500000
Exact Mass
306.255880
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O
InChI
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
InChIKey
HOBAELRKJCKHQD-QNEBEIHSSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.65
Rotatable bonds
15
H-bond acceptors
1
H-bond donors
1
Molar refractivity
96.13
TPSA
37.3

LogP / Solubility

WLOGP
6.44
MLOGP
5.68
XLogP3
7.2
Consensus LogP
6.44
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.8
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)
-0.02

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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