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CAS 160801-26-3 Docosahexaenoic Acid N-SucciniMide molecular structure lightbox
CAS RN: 160801-26-3

Docosahexaenoic Acid N-SucciniMide

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5 package records5 with current stock1 grade group
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Batchno.20260409 100mg In stock Inquiry
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  • Product code: starshine_CAS160801-26-3
  • Purity/Analytical Methods: >99.0%
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160801-26-3 / (2,5-dioxopyrrolidin-1-yl) (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

Standard CAS: 160801-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160801-26-3
Multi CAS
No
Molecular Formula
C26H35NO4
Molecular Weight
425.600000
Exact Mass
425.256609
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C26H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(30)31-27-24(28)22-23-25(27)29/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-23H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey
AWUMFVFMQMCKHT-KUBAVDMBSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.42
Rotatable bonds
15
H-bond acceptors
4
Molar refractivity
124.63
TPSA
63.68

LogP / Solubility

WLOGP
6.07
MLOGP
5.37
XLogP3
5.6
Consensus LogP
5.68
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.27
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.01

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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