alpha-Estradiol 3-benzoate
TL;DR: alpha-Estradiol 3-benzoate (CAS 6045-53-0) is a chemical compound with molecular formula C25H28O3 and molecular weight 376.20386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: alpha-Estradiol 3-benzoate, estradiol benzoate, a-Estradiol 3-Benzoate, 17.alpha.-Estradiol, 3-benzoate, 17-epi- Estradiol Benzoate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C25H28O3 |
| Molecular Weight | 376.20386 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.20386 Da |
| Heavy Atoms | 28 |
| Complexity | 582.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | UYIFTLBWAOGQBI-ABMICEGHSA-N |
Product Description
Applications: alpha-Estradiol 3-benzoate is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, alpha-Estradiol 3-benzoate (CAS 6045-53-0) has the molecular formula C25H28O3 and a molecular weight of 376.2 g/mol. Synonyms include alpha-Estradiol 3-benzoate and estradiol benzoate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of alpha-Estradiol 3-benzoate
Property Insights of alpha-Estradiol 3-benzoate
The XLogP value of 4.5 indicates that alpha-Estradiol 3-benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, alpha-Estradiol 3-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Estradiol 3-benzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of alpha-Estradiol 3-benzoate?
The CAS number of alpha-Estradiol 3-benzoate is 6045-53-0.
What is the molecular formula of alpha-Estradiol 3-benzoate?
The molecular formula of alpha-Estradiol 3-benzoate is C25H28O3.
What is the molecular weight of alpha-Estradiol 3-benzoate?
The molecular weight of alpha-Estradiol 3-benzoate is 376.20386 g/mol.
What are the applications of alpha-Estradiol 3-benzoate?
alpha-Estradiol 3-benzoate is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy alpha-Estradiol 3-benzoate?
You can request a quote for alpha-Estradiol 3-benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Estradiol 3-benzoate?
Yes, CoreyChem provides custom synthesis services for alpha-Estradiol 3-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.