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CAS 20255-94-1 1 2-DIMYRISTOYL-RAC-GLYCEROL (C14:0) molecular structure lightbox
CAS RN: 20255-94-1

1 2-DIMYRISTOYL-RAC-GLYCEROL (C14:0)

  • Product code: SSC-095392
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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 20255-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

20255-94-1 / (3-hydroxy-2-tetradecanoyloxypropyl) tetradecanoate

Standard CAS: 20255-94-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
20255-94-1
Multi CAS
No
Molecular Formula
C31H60O5
Molecular Weight
512.800000
Exact Mass
512.444075
SMILES
CCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-28-29(27-32)36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3
InChIKey
JFBCSFJKETUREV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
0.94
Rotatable bonds
28
H-bond acceptors
5
H-bond donors
1
Molar refractivity
150.08
TPSA
72.83

LogP / Solubility

WLOGP
8.84
MLOGP
7.81
XLogP3
11.9
Consensus LogP
9.52
Log S (ESOL)
-6.74
Class (ESOL)
Insoluble
Log S (Ali)
-10.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.69
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)
0.43

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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