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CAS 212707-51-2 Palmitoyl Serotonin molecular structure lightbox
CAS RN: 212707-51-2

Palmitoyl Serotonin

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250127 5mg / 10mg / 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS212707-51-2
  • Purity/Analytical Methods: >99.0%
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212707-51-2 / N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide

Standard CAS: 212707-51-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212707-51-2
Multi CAS
No
Molecular Formula
C26H42N2O2
Molecular Weight
414.600000
Exact Mass
414.324629
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O
InChI
InChI=1S/C26H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(30)27-19-18-22-21-28-25-17-16-23(29)20-24(22)25/h16-17,20-21,28-29H,2-15,18-19H2,1H3,(H,27,30)
InChIKey
AKQOZSXOPVLUHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
9
Fraction Csp3
0.65
Rotatable bonds
17
H-bond acceptors
2
H-bond donors
3
Molar refractivity
126.99
TPSA
65.12

LogP / Solubility

WLOGP
7.01
MLOGP
6.2
XLogP3
7.8
Consensus LogP
7
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.02
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
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.27

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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