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CAS 57675-44-2 2-ethyl-2-[[(1-oxooleyl)oxy]methyl]-1,3-propanediyl dioleate molecular structure lightbox
CAS RN: 57675-44-2

2-ethyl-2-[[(1-oxooleyl)oxy]methyl]-1,3-propanediyl dioleate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250809 5g / 10g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS57675-44-2
  • Purity/Analytical Methods: >99.0%
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57675-44-2 / 2,2-bis(octadec-9-enoyloxymethyl)butyl octadec-9-enoate

Standard CAS: 57675-44-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57675-44-2
Multi CAS
Yes
Molecular Formula
C60H110O6
Molecular Weight
927.500000
Exact Mass
926.830241
InChI
InChI=1S/C60H110O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-57(61)64-54-60(8-4,55-65-58(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-66-59(63)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h27-32H,5-26,33-56H2,1-4H3/b30-27-,31-28-,32-29-
InChIKey
BTGGRPUPMPLZNT-PGEUSFDPSA-N

Computed Properties

Structural Parameters

Heavy atom count
66
Fraction Csp3
0.85
Rotatable bonds
52
H-bond acceptors
6
Molar refractivity
283.96
TPSA
78.9

LogP / Solubility

WLOGP
19.12
MLOGP
16.92
XLogP3
23.3
Consensus LogP
19.78
Log S (ESOL)
-14.21
Class (ESOL)
Insoluble
Log S (Ali)
-20.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-27.8
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)
5.2

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

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