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CAS 106010-22-4 PALMITOLEAMIDE molecular structure lightbox
CAS RN: 106010-22-4

PALMITOLEAMIDE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250129 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS106010-22-4
  • Purity/Analytical Methods: >99.0%
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106010-22-4 / (Z)-hexadec-9-enamide

palmitelaidamide | CHEMBL86496 | SCHEMBL8660049

Standard CAS: 106010-22-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106010-22-4
Multi CAS
Yes
Molecular Formula
C16H31NO
Molecular Weight
253.420000
Exact Mass
253.240565
SMILES
CCCCCC/C=C\CCCCCCCC(=O)N
InChI
InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H2,17,18)/b8-7-
InChIKey
YRPQTVNCCVPGFA-FPLPWBNLSA-N
Synonyms
palmitelaidamide CHEMBL86496 SCHEMBL8660049

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.81
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
79.41
TPSA
43.09

LogP / Solubility

WLOGP
4.73
MLOGP
4.17
XLogP3
5.5
Consensus LogP
4.8
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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