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CAS 883715-23-9 (9Z,12Z,15Z)-N-[(3-Methoxyphenyl)methyl]-9,12,15-octadecatrienamide molecular structure lightbox
CAS RN: 883715-23-9

(9Z,12Z,15Z)-N-[(3-Methoxyphenyl)methyl]-9,12,15-octadecatrienamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260701 20mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS883715-23-9
  • Purity/Analytical Methods: >99.0%
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883715-23-9 / (9Z,12Z,15Z)-N-[(3-methoxyphenyl)methyl]octadeca-9,12,15-trienamide

Standard CAS: 883715-23-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
883715-23-9
Multi CAS
Yes
Molecular Formula
C26H39NO2
Molecular Weight
397.600000
Exact Mass
397.298079
InChI
InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h4-5,7-8,10-11,18-20,22H,3,6,9,12-17,21,23H2,1-2H3,(H,27,28)/b5-4-,8-7-,11-10-
InChIKey
XKHCEDYSKNATME-YSTUJMKBSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
16
H-bond acceptors
2
H-bond donors
1
Molar refractivity
124.1
TPSA
38.33

LogP / Solubility

WLOGP
6.9
MLOGP
6.1
XLogP3
7.1
Consensus LogP
6.7
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.89
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)
-0.25

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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