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CAS 876305-42-9 N-Arachidonyl maleimide molecular structure lightbox
CAS RN: 876305-42-9

N-Arachidonyl maleimide

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  • Product code: starshine_CAS876305-42-9
  • Purity/Analytical Methods: >99.0%
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876305-42-9 / 1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]pyrrole-2,5-dione

Standard CAS: 876305-42-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
876305-42-9
Multi CAS
Yes
Molecular Formula
C24H35NO2
Molecular Weight
369.500000
Exact Mass
369.266779
InChI
InChI=1S/C24H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-23(26)20-21-24(25)27/h6-7,9-10,12-13,15-16,20-21H,2-5,8,11,14,17-19,22H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey
GZNZRHSGGQUYAP-DOFZRALJSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.5
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
114.26
TPSA
37.38

LogP / Solubility

WLOGP
6.06
MLOGP
5.35
XLogP3
6.4
Consensus LogP
5.94
Log S (ESOL)
-4.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.89
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)
-0.67

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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