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CAS 123-94-4 Monostearin molecular structure lightbox
CAS RN: 123-94-4

Monostearin

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250711 100g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250625 1kg In stock Shanghai Inquiry
Batchno.20250220 500g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-026706
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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: 1000g
  • 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 123-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1000g ≥97% 0 Out of Stock Shenzhen Inquiry

123-94-4 / 2,3-dihydroxypropyl octadecanoate

Standard CAS: 123-94-4 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
123-94-4
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
InChIKey
VBICKXHEKHSIBG-UHFFFAOYSA-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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 708 of 711 companies (only 0.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website. Reported as not meeting GHS hazard criteria by 428 of 428 companies. For more detailed information, please visit ECHA C&L website. Reported as not meeting GHS hazard criteria by 173 of 173 companies. For more detailed information, please visit ECHA C&L website.

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