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CAS 18190-74-4 (Z)-N-(2-hydroxyethyl)docos-13-enamide molecular structure lightbox
CAS RN: 18190-74-4

(Z)-N-(2-hydroxyethyl)docos-13-enamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250901 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS18190-74-4
  • Purity/Analytical Methods: >99.0%
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18190-74-4 / (Z)-N-(2-hydroxyethyl)docos-13-enamide

Standard CAS: 18190-74-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18190-74-4
Multi CAS
No
Molecular Formula
C24H47NO2
Molecular Weight
381.600000
Exact Mass
381.360680
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCO
InChI
InChI=1S/C24H47NO2/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/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
InChIKey
UGYSMGXRWBTMRZ-KTKRTIGZSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.88
Rotatable bonds
21
H-bond acceptors
2
H-bond donors
2
Molar refractivity
118.02
TPSA
49.33

LogP / Solubility

WLOGP
6.69
MLOGP
5.91
XLogP3
8.5
Consensus LogP
7.03
Log S (ESOL)
-5.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.22
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)
-0.3

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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