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CAS 18281-04-4 Ethyl Nonadecanoate molecular structure lightbox
CAS RN: 18281-04-4

Ethyl Nonadecanoate

  • Product code: SSC-084623
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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: 5g
  • Available purity: ≥96%
  • 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 18281-04-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥96% 0 Out of Stock Beijing Inquiry

18281-04-4 / ethyl nonadecanoate

Standard CAS: 18281-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18281-04-4
Multi CAS
No
Molecular Formula
C21H42O2
Molecular Weight
326.600000
Exact Mass
326.318481
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OCC
InChI
InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-4-2/h3-20H2,1-2H3
InChIKey
ICVYQLQYVCXJNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.95
Rotatable bonds
18
H-bond acceptors
2
Molar refractivity
100.8
TPSA
26.3

LogP / Solubility

WLOGP
7.2
MLOGP
6.35
XLogP3
9.4
Consensus LogP
7.65
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.4

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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