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Basic Description
| Synonyms | AKOS015918000 | -Estradiol;E2;17-Estradiol;17-Oestradiol | Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-heptanoate | DTXCID703001 | Estra-1,3,5(10)-triene-3,17b-diol 17-heptanoate | DS-2760 | MLS006010232 | SO-16150 | Estradiol Enantate | CHEBI:135604 | |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Room temperature |
| Shipped In | Normal |
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
Steroids and steroid derivatives
- Subclass Steroid esters
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Steroids and steroid derivatives |
| Subclass | Steroid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Steroid esters |
| Alternative Parents | Estrogens and derivatives 3-hydroxysteroids Phenanthrenes and derivatives Tetralins 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Steroid ester - Estrogen-skeleton - 3-hydroxysteroid - Estrane-skeleton - Hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group. |
| External Descriptors | Not available |
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Product Properties
| pKa | pKa: 10.25 (Predicted) |
|---|
Associated Targets(Human)
TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1 (345557 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 |
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Names and Identifiers
| Pubchem Sid | 488182666 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488182666 |
| IUPAC Name | [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate |
| INCHI | InChI=1S/C25H36O3/c1-3-4-5-6-7-24(27)28-23-13-12-22-21-10-8-17-16-18(26)9-11-19(17)20(21)14-15-25(22,23)2/h9,11,16,20-23,26H,3-8,10,12-15H2,1-2H3/t20-,21-,22+,23+,25+/m1/s1 |
| InChIKey | RFWTZQAOOLFXAY-BZDYCCQFSA-N |
| Smiles | CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C |
| Isomeric SMILES | CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C |
| Molecular Weight | 384.56 |
| Reaxy-Rn | 25449367 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25449367&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2508015 |
Certificate of Analysis | Jun 17, 2023 | E355446 |
| F23281207 |
Certificate of Analysis | Jun 17, 2023 | E355446 |
| K2401020 |
Certificate of Analysis | Jun 17, 2023 | E355446 |
| F23281208 |
Certificate of Analysis | Jun 17, 2023 | E355446 |
| F2328925 |
Certificate of Analysis | Jun 17, 2023 | E355446 |
| F23281204 |
Certificate of Analysis | Jun 17, 2023 | E355446 |
| F23281205 |
Certificate of Analysis | Jun 17, 2023 | E355446 |
| F23281206 |
Certificate of Analysis | Jun 17, 2023 | E355446 |
Chemical and Physical Properties
| Solubility | Soluble in water (slightly). |
|---|---|
| Refractive Index | n20D1.56 (Predicted) |
| Boil Point(°C) | ~509.5° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 94-96° C |
| Molecular Weight | 384.600 g/mol |
| XLogP3 | 7.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 384.266 Da |
| Monoisotopic Mass | 384.266 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 546.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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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