17-β-ESTRADIOL 3,17-DIPROPIONATE - ≥98% , CAS No.113-38-2

CAS: 113-38-2 Cat. No.: E302228 Peso molecular: 384.52 Número EC: 204-026-5

GRADE & PURITY ≥98%

Synonyms

(17.beta.)-Estra-1,3,5(10)-triene-3,17-diol 3,17-dipropionate | Agofollin | CHEBI:31560 | (17beta)-estra-1(10),2,4-triene-3,17-diyl dipropanoate | 1,3,5(10)-Estratriene-3,17.beta.-diol dipropionate | CCRIS 282 | Estradiol diproppionate | NCGC00159328-02 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(17.beta.)-Estra-1, 3, 5(10)-triene-3, 17-diol 3, 17-dipropionate | Agofollin | CHEBI:31560 | (17beta)-estra-1(10), 2, 4-triene-3, 17-diyl dipropanoate | 1, 3, 5(10)-Estratriene-3, 17.beta.-diol dipropionate | CCRIS 282 | Estradiol diproppionate | NCGC00159328-02 |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180735
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180735
• Sonrisas canónicas: CCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)CC)C
• IUPAC Name: [(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
• InChIKey: JQIYNMYZKRGDFK-RUFWAXPRSA-N
• INCHI: 1S/C24H32O4/c1-4-22(25)27-16-7-9-17-15(14-16)6-8-19-18(17)12-13-24(3)20(19)10-11-21(24)28-23(26)5-2/h7,9,14,18-21H,4-6,8,10-13H2,1-3H3/t18-,19-,20+,21+,24+/m1/s1
• Isómeros SMILES: CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CC)C
• Peso molecular: 384.52
• Reaxy-Rn: 2065270
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2065270&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Steroids and steroid derivatives
      • Subclass Steroid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Steroid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Steroid esters
• Alternative Parents: Estrane steroids Phenanthrenes and derivatives Tetralins Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Steroid ester - Estrane-skeleton - Phenanthrene - Tetralin - Benzenoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descripción: 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: C18 steroids (estrogens) and derivatives

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

Objetivos asociados (humanos)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.577
• Rotación específica [α]: 40° (C=1,dioxane)
• Punto de inflamación (°C): 238.5ºC
• Punto de ebullición (°C): 487.8ºC at 760mmHg
• Punto de fusión (°C): 107 °C
• Peso molecular: 384.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 384.23 Da
• Monoisotopic Mass: 384.23 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 601.000
• 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

Referencias

1. Yuhang Guo, Fusheng Pan, Guangzhaoyao Yang, Runnan Zhang, Shiyao Yu, Yuhan Wang, Ziting Zhu, Wenqing Gao, Zhiming Zhang, Tong Li, Zhongyi Jiang.  (2023)  Engineering metal-covalent organic framework-based hybrid oxygenation membranes for facilitated blood-gas exchange.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2023.122088]

2. Yuhang Guo, Guangzhaoyao Yang, Shiyao Yu, Jing Huang, Fusheng Pan, Runnan Zhang, Haojun Fan, Zhongyi Jiang.  (2025)  Engineering fluorinated COF-based hybrid membranes for efficient blood oxygenation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2025.123815]