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CAS 2549-53-3 tetradecyl methacrylate molecular structure lightbox
CAS RN: 2549-53-3

tetradecyl methacrylate

  • Product code: SSC-121479
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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: 25g
  • 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 2549-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥96% 0 Out of Stock Shanghai Inquiry

2549-53-3 / tetradecyl 2-methylprop-2-enoate

Standard CAS: 2549-53-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2549-53-3
Multi CAS
No
Molecular Formula
C18H34O2
Molecular Weight
282.500000
Exact Mass
282.255880
SMILES
CCCCCCCCCCCCCCOC(=O)C(=C)C
InChI
InChI=1S/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)17(2)3/h2,4-16H2,1,3H3
InChIKey
ATZHWSYYKQKSSY-UHFFFAOYSA-N

Physical Properties

Boiling Point
147-154 °C at 0.093 kPa
Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
14
H-bond acceptors
2
Molar refractivity
86.85
TPSA
26.3

LogP / Solubility

WLOGP
5.81
MLOGP
5.12
XLogP3
8.3
Consensus LogP
6.41
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.32

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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