Glycerol trienanthate - Moligand™, ≥94% , CAS No.620-67-7

CAS: 620-67-7 Cat. No.: G129083 Formula: [CH₃(CH₂)₅COOCH₂]₂CHOCO(CH₂)₅CH₃ Molecular Weight: 428.6 Beilstein Registry Number: 1807724 EC Number: 210-647-2

GRADE & PURITY Moligand™, ≥94%

Synonyms

LS-15081 | Propane-1,2,3-triyltriheptanoate | Dojolvi | GLYCERYL TRIHEPTANOATE | triheptanoina | TRIHEPTANOIN [MI] | Dermofeel tc-7 | Lanol 37T | 1,3-bis(heptanoyloxy)propan-2-yl heptanoate | GTPL11431 | SY125872 | 2P6O7CFW5K | Heptanoin, tri-(6CI,7CI,8CI

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

LS-15081 | Propane-1,2,3-triyltriheptanoate | Dojolvi | GLYCERYL TRIHEPTANOATE | triheptanoina | TRIHEPTANOIN [MI] | Dermofeel tc-7 | Lanol 37T | 1,3-bis(heptanoyloxy)propan-2-yl heptanoate | GTPL11431 | SY125872 | 2P6O7CFW5K | Heptanoin, tri-(6CI,7CI,8CI

Specifications & Purity

Moligand™, ≥94%

Storage

Room temperature

Shipped In

Normal

Grade

Moligand™

Purity

≥94%

Product Properties

ALogP

7.3

Names and Identifiers

Pubchem Sid

504754359

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754359

Canonical Smiles

CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC

IUPAC Name

2,3-di(heptanoyloxy)propyl heptanoate

InChIKey

PJHKBYALYHRYSK-UHFFFAOYSA-N

INCHI

1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3

Isomeric SMILES

CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC

WGK Germany

1

Alternate CAS

620-67-7

MeSH Entry Terms

glyceroltriheptanoate;glyceryl triheptanoate;triheptanoin

Molecular Weight

428.6

Beilstein

1807724

Reaxy-Rn

1807724

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1807724&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Glycerolipids
      • Subclass Triradylcglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Glycerolipids
• Subclass: Triradylcglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Triacylglycerols
• Alternative Parents: Tricarboxylic acids and derivatives Fatty acid esters Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Triacyl-sn-glycerol - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.444
• Molecular Weight: 428.600 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 23
• Exact Mass: 428.314 Da
• Monoisotopic Mass: 428.314 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 421.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥94% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 620-67-7, the molecular formula is C24H44O6, and the molecular weight is 428.6 g/mol. InChIKey PJHKBYALYHRYSK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.