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CAS 90105-02-5 (5Z,8Z,14Z)-Eicosatrienoic acid molecular structure lightbox
CAS RN: 90105-02-5

(5Z,8Z,14Z)-Eicosatrienoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 500μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS90105-02-5
  • Purity/Analytical Methods: >99.0%
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90105-02-5 / icosa-5,8,14-trienoic acid

Standard CAS: 90105-02-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90105-02-5
Multi CAS
Yes
Molecular Formula
C20H34O2
Molecular Weight
306.500000
Exact Mass
306.255880
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/h6-7,12-13,15-16H,2-5,8-11,14,17-19H2,1H3,(H,21,22)/b7-6-,13-12-,16-15-
InChIKey
MZHLWKPZCXLYSL-IJJPYCETSA-N

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
6.7
Consensus LogP
6.27
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

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