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CAS 506-31-0 9-Eicosenoic acid molecular structure lightbox
CAS RN: 506-31-0

9-Eicosenoic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 100mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS506-31-0
  • Purity/Analytical Methods: >99.0%
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506-31-0 / icos-9-enoic acid

Standard CAS: 506-31-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
506-31-0
Multi CAS
Yes
Molecular Formula
C20H38O2
Molecular Weight
310.500000
Exact Mass
310.287180
InChI
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)
InChIKey
LQJBNNIYVWPHFW-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.85
Rotatable bonds
17
H-bond acceptors
1
H-bond donors
1
Molar refractivity
96.32
TPSA
37.3

LogP / Solubility

WLOGP
6.89
MLOGP
6.08
XLogP3
7.6
Consensus LogP
6.86
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
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)
0.28

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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