Estradiol 17-dihydrotrigonelline
TL;DR: Estradiol 17-dihydrotrigonelline (CAS 103562-82-9) is a chemical compound with molecular formula C25H31NO3 and molecular weight 393.2304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 1-methyl-4H-pyridine-3-carboxylate
Also Known As: Estredox, E2-cds, Estradiol 17-dihydrotrigonelline, Cds-E2, Estradiol chemical delivery system
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C25H31NO3 |
| Molecular Weight | 393.2304 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.2304 Da |
| Heavy Atoms | 29 |
| Complexity | 715.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CN(C=CC4)C)CCC5=C3C=CC(=C5)O |
| InChIKey | KTMLJZFJHDUEAU-BZDYCCQFSA-N |
Chemical Property Profile of Estradiol 17-dihydrotrigonelline
Property Insights of Estradiol 17-dihydrotrigonelline
The XLogP value of 5.4 indicates that Estradiol 17-dihydrotrigonelline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, Estradiol 17-dihydrotrigonelline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estradiol 17-dihydrotrigonelline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Estradiol 17-dihydrotrigonelline?
The CAS number of Estradiol 17-dihydrotrigonelline is 103562-82-9.
What is the molecular formula of Estradiol 17-dihydrotrigonelline?
The molecular formula of Estradiol 17-dihydrotrigonelline is C25H31NO3.
What is the molecular weight of Estradiol 17-dihydrotrigonelline?
The molecular weight of Estradiol 17-dihydrotrigonelline is 393.2304 g/mol.
Where can I buy Estradiol 17-dihydrotrigonelline?
You can request a quote for Estradiol 17-dihydrotrigonelline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Estradiol 17-dihydrotrigonelline?
Yes, CoreyChem provides custom synthesis services for Estradiol 17-dihydrotrigonelline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.