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Basic Description
| Synonyms | Triheptanoin | 620-67-7 | Propane-1,2,3-triyl triheptanoate | Trioenanthoin | Trienanthoin | GLYCERYL TRIHEPTANOATE | Triheptanoic glyceride | Heptanoin, tri- | Dermofeel TC 7 | Triheptylin | Dojolvi | UX007 | Glycerol triheptanoate | Dub thg | Dermofeel tc-7 | glyceroltriheptanoate | R |
|---|---|
| Specifications & Purity | Moligand™, 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Grade | Moligand™ |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Glycerolipids
- Subclass Triradylcglycerols
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Class
Glycerolipids
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Superclass
Lipids and lipid-like molecules
| 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 |
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Product Properties
| ALogP | 7.3 |
|---|
Associated Targets(non-human)
rep
Replicase polyprotein 1ab (378 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| IUPAC Name | 2,3-di(heptanoyloxy)propyl heptanoate |
|---|---|
| INCHI | 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 |
| InChIKey | PJHKBYALYHRYSK-UHFFFAOYSA-N |
| Smiles | CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC |
| 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= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
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 |
Solution Calculators
Reviews
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