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CAS 211817-55-9 4(Z),7(Z),10(Z),13(Z),16(Z)-N-(2-hydroxyethyl)-Docosapentaenamide molecular structure lightbox
CAS RN: 211817-55-9

4(Z),7(Z),10(Z),13(Z),16(Z)-N-(2-hydroxyethyl)-Docosapentaenamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260331 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS211817-55-9
  • Purity/Analytical Methods: >99.0%
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211817-55-9 / (4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)docosa-4,7,10,13,16-pentaenamide

Standard CAS: 211817-55-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211817-55-9
Multi CAS
No
Molecular Formula
C24H39NO2
Molecular Weight
373.600000
Exact Mass
373.298079
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCO
InChI
InChI=1S/C24H39NO2/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/h6-7,9-10,12-13,15-16,18-19,26H,2-5,8,11,14,17,20-23H2,1H3,(H,25,27)/b7-6-,10-9-,13-12-,16-15-,19-18-
InChIKey
IZUGLNJRCDBYKA-WMPRHZDHSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.54
Rotatable bonds
17
H-bond acceptors
2
H-bond donors
2
Molar refractivity
117.64
TPSA
49.33

LogP / Solubility

WLOGP
5.8
MLOGP
5.12
XLogP3
5.9
Consensus LogP
5.61
Log S (ESOL)
-4.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.94
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)
-0.88

Drug-likeness / Medicinal Chemistry

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

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