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CAS 22205-13-6 DodecanaMide, N-decyl- molecular structure lightbox
CAS RN: 22205-13-6

DodecanaMide, N-decyl-

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250623 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS22205-13-6
  • Purity/Analytical Methods: >99.0%
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22205-13-6 / N-decyldodecanamide

Standard CAS: 22205-13-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22205-13-6
Multi CAS
No
Molecular Formula
C22H45NO
Molecular Weight
339.600000
Exact Mass
339.350115
SMILES
CCCCCCCCCCCC(=O)NCCCCCCCCCC
InChI
InChI=1S/C22H45NO/c1-3-5-7-9-11-13-14-16-18-20-22(24)23-21-19-17-15-12-10-8-6-4-2/h3-21H2,1-2H3,(H,23,24)
InChIKey
FKZUDXVZNVPXDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.95
Rotatable bonds
19
H-bond acceptors
1
H-bond donors
1
Molar refractivity
107.46
TPSA
29.1

LogP / Solubility

WLOGP
7.16
MLOGP
6.32
XLogP3
9.2
Consensus LogP
7.56
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.09
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
No
Log Kp (skin permeation)
0.29

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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