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CAS 14303-96-9 N-Hexadecylacetamide molecular structure lightbox
CAS RN: 14303-96-9

N-Hexadecylacetamide

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250927 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: LINN905457
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14303-96-9 / N-hexadecylacetamide

Standard CAS: 14303-96-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14303-96-9
Multi CAS
No
Molecular Formula
C18H37NO
Molecular Weight
283.500000
Exact Mass
283.287515
SMILES
CCCCCCCCCCCCCCCCNC(=O)C
InChI
InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18(2)20/h3-17H2,1-2H3,(H,19,20)
InChIKey
WZGQRPGQTOSEMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
15
H-bond acceptors
1
H-bond donors
1
Molar refractivity
89
TPSA
29.1

LogP / Solubility

WLOGP
5.6
MLOGP
4.94
XLogP3
7.3
Consensus LogP
5.95
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.95
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.47

Drug-likeness / Medicinal Chemistry

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

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