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CAS 15806-43-6 ALPHA-NAPHTHYL PALMITATE molecular structure lightbox
CAS RN: 15806-43-6

ALPHA-NAPHTHYL PALMITATE

  • Product code: SSC-066670
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 15806-43-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

15806-43-6 / naphthalen-1-yl hexadecanoate

Standard CAS: 15806-43-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15806-43-6
Multi CAS
No
Molecular Formula
C26H38O2
Molecular Weight
382.600000
Exact Mass
382.287180
SMILES
CCCCCCCCCCCCCCCC(=O)OC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-26(27)28-25-21-17-19-23-18-15-16-20-24(23)25/h15-21H,2-14,22H2,1H3
InChIKey
IAKVKXNIMLQHPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.58
Rotatable bonds
15
H-bond acceptors
2
Molar refractivity
119.9
TPSA
26.3

LogP / Solubility

WLOGP
8.23
MLOGP
7.26
XLogP3
10.1
Consensus LogP
8.53
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-8.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.77
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.79

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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