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CAS 946524-43-2 Docosahexaenoyl Ethanolamide-d4 molecular structure lightbox
CAS RN: 946524-43-2

Docosahexaenoyl Ethanolamide-d4

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250509 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS946524-43-2
  • Purity/Analytical Methods: >99.0%
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946524-43-2 / (4Z,7Z,10Z,13Z,16Z,19Z)-N-(1,1,2,2-tetradeuterio-2-hydroxyethyl)docosa-4,7,10,13,16,19-hexaenamide

Standard CAS: 946524-43-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
946524-43-2
Multi CAS
Yes
Molecular Formula
C24H37NO2
Molecular Weight
375.600000
Exact Mass
375.307536
InChI
InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25,27)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/i22D2,23D2
InChIKey
GEEHOLRSGZPBSM-DXYZWJMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.46
Rotatable bonds
16
H-bond acceptors
2
H-bond donors
2
Molar refractivity
117.55
TPSA
49.33

LogP / Solubility

WLOGP
5.57
MLOGP
4.92
XLogP3
5.3
Consensus LogP
5.26
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.62
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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