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CAS 142128-47-0 N-(2-HYDROXY-1R-METHYLETHYL)-HEXADECANAMIDE molecular structure lightbox
CAS RN: 142128-47-0

N-(2-HYDROXY-1R-METHYLETHYL)-HEXADECANAMIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250219 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS142128-47-0
  • Purity/Analytical Methods: >99.0%
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142128-47-0 / N-[(2R)-1-hydroxypropan-2-yl]hexadecanamide

Standard CAS: 142128-47-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142128-47-0
Multi CAS
No
Molecular Formula
C19H39NO2
Molecular Weight
313.500000
Exact Mass
313.298079
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@H](C)CO
InChI
InChI=1S/C19H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(22)20-18(2)17-21/h18,21H,3-17H2,1-2H3,(H,20,22)/t18-/m1/s1
InChIKey
RYVPKPNOVYCJAP-GOSISDBHSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
16
H-bond acceptors
2
H-bond donors
2
Molar refractivity
95
TPSA
49.33

LogP / Solubility

WLOGP
4.96
MLOGP
4.38
XLogP3
6.6
Consensus LogP
5.31
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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