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CAS 126127-31-9 N-PALMITOYL SERINOL molecular structure lightbox
CAS RN: 126127-31-9

N-PALMITOYL SERINOL

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260417 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS126127-31-9
  • Purity/Analytical Methods: >99.0%
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126127-31-9 / N-(1,3-dihydroxypropan-2-yl)hexadecanamide

Standard CAS: 126127-31-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
126127-31-9
Multi CAS
No
Molecular Formula
C19H39NO3
Molecular Weight
329.500000
Exact Mass
329.292994
SMILES
CCCCCCCCCCCCCCCC(=O)NC(CO)CO
InChI
InChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)20-18(16-21)17-22/h18,21-22H,2-17H2,1H3,(H,20,23)
InChIKey
MZUNFYMZKTWADX-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.95
Rotatable bonds
17
H-bond acceptors
3
H-bond donors
3
Molar refractivity
96.41
TPSA
69.56

LogP / Solubility

WLOGP
3.94
MLOGP
3.48
XLogP3
5.6
Consensus LogP
4.34
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.11
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)
-1.93

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
2.5

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