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CAS 26658-19-5 SORBITAN TRISTEARATE molecular structure lightbox
CAS RN: 26658-19-5

SORBITAN TRISTEARATE

  • Product code: SSC-124743
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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: 500g
  • 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 26658-19-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥97% 0 Out of Stock Shenzhen Inquiry

26658-19-5 / [2-[(2R,3S,4R)-4-hydroxy-3-octadecanoyloxyoxolan-2-yl]-2-octadecanoyloxyethyl] octadecanoate

Standard CAS: 26658-19-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26658-19-5
Multi CAS
No
Molecular Formula
C60H114O8
Molecular Weight
963.500000
Exact Mass
962.851371
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC([C@@H]1[C@H]([C@@H](CO1)O)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)65-53-55(67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60-59(54(61)52-66-60)68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59+,60+/m0/s1
InChIKey
IJCWFDPJFXGQBN-RYNSOKOISA-N

Computed Properties

Structural Parameters

Heavy atom count
68
Fraction Csp3
0.95
Rotatable bonds
53
H-bond acceptors
8
H-bond donors
1
Molar refractivity
285.1
TPSA
108.36

LogP / Solubility

WLOGP
17.9
MLOGP
15.84
XLogP3
24.3
Consensus LogP
19.35
Log S (ESOL)
-13.59
Class (ESOL)
Insoluble
Log S (Ali)
-20.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-27.14
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
Yes
Log Kp (skin permeation)
4.11

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
6

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