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CAS 22610-61-3 1-O-Octadecanoyl-2n-glycerol molecular structure lightbox
CAS RN: 22610-61-3

1-O-Octadecanoyl-2n-glycerol

  • Product code: SSC-110535
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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 22610-61-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

22610-61-3 / 2,3-dihydroxypropyl octadecanoate

Standard CAS: 22610-61-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
22610-61-3
Multi CAS
No
Molecular Formula
C21H42O4
Molecular Weight
358.600000
Exact Mass
358.308310
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m0/s1
InChIKey
VBICKXHEKHSIBG-FQEVSTJZSA-N

Physical Properties

Physical Description
Dry Powder, Liquid, Other Solid; Other Solid; Dry Powder; Pellets or Large Crystals; Dry Powder, Pellets or Large Crystals White waxy solid; [Merck Index] white to pale yellow wax-like solid with a mild fatty odour
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.95
Rotatable bonds
19
H-bond acceptors
4
H-bond donors
2
Molar refractivity
103.6
TPSA
66.76

LogP / Solubility

WLOGP
5.14
MLOGP
4.55
XLogP3
7.4
Consensus LogP
5.7
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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