17beta-Estradiol benzoate
TL;DR: 17beta-Estradiol benzoate (CAS 983-30-2) is a chemical compound with molecular formula C25H28O3 and molecular weight 376.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] benzoate
Also Known As: 17beta-Estradiol benzoate, Estradiol 17-Benzoate, Estradiol-17beta-benzoate, Estradiol monobenzoate E2B, Estradiol, 17-benzoate
| Molecular Formula | C25H28O3 |
|---|---|
| Molecular Weight | 376.20 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.20386 |
| Heavy Atoms | 28 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 983-30-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC=CC=C4)CCC5=C3C=CC(=C5)O |
| InChIKey | AAGOOGMSOHOVSE-BZDYCCQFSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
17beta-Estradiol benzoate (CAS 983-30-2), with molecular formula C25H28O3 and molecular weight 376.20 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] benzoate.
Chemical Property Profile of 17beta-Estradiol benzoate
Property Insights of 17beta-Estradiol benzoate
The XLogP value of 6.2 indicates that 17beta-Estradiol 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, 17beta-Estradiol benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17beta-Estradiol benzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17beta-Estradiol benzoate?
The CAS number of 17beta-Estradiol benzoate is 983-30-2.
What is the molecular formula of 17beta-Estradiol benzoate?
The molecular formula of 17beta-Estradiol benzoate is C25H28O3.
What is the molecular weight of 17beta-Estradiol benzoate?
The molecular weight of 17beta-Estradiol benzoate is 376.20 g/mol.
Where can I buy 17beta-Estradiol benzoate?
You can request a quote for 17beta-Estradiol benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17beta-Estradiol benzoate?
Yes, KEHONG BIO provides custom synthesis services for 17beta-Estradiol benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.