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CAS 13945-76-1 LAURYL LAURATE molecular structure lightbox
CAS RN: 13945-76-1

LAURYL LAURATE

  • Product code: SSC-050093
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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: 100g
  • Available purity: ＞97%
  • 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 13945-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

13945-76-1 / dodecyl dodecanoate

Standard CAS: 13945-76-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13945-76-1
Multi CAS
No
Molecular Formula
C24H48O2
Molecular Weight
368.600000
Exact Mass
368.365431
SMILES
CCCCCCCCCCCCOC(=O)CCCCCCCCCCC
InChI
InChI=1S/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
InChIKey
CYUUZGXOQDCCGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.96
Rotatable bonds
21
H-bond acceptors
2
Molar refractivity
114.65
TPSA
26.3

LogP / Solubility

WLOGP
8.37
MLOGP
7.39
XLogP3
10.9
Consensus LogP
8.89
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-8.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.52
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
Yes
Log Kp (skin permeation)
0.97

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 30 of 30 companies. For more detailed information, please visit ECHA C&L website.

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