Etrosteron
TL;DR: Etrosteron (CAS 78492-56-5) is a chemical compound with molecular formula C40H60O4 and molecular weight 604.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-13-methyl-3-undec-10-enoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undec-10-enoate
Also Known As: Estrosteron, Etrosteron, ESTRADIOL DIUNDECYLENATE, (17, A)-estra-1,3,5(10)-triene-3,17-diyl bisundec-10-enoate
| Molecular Formula | C40H60O4 |
|---|---|
| Molecular Weight | 604.45 g/mol |
| LogP | 11.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 604.44916 |
| Heavy Atoms | 44 |
| Complexity | 896.0 |
Chemical Identifiers
| CAS Number | 78492-56-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C)CCC4=C3C=CC(=C4)OC(=O)CCCCCCCCC=C |
| InChIKey | LVJFPCSLAMHGAU-OBRFQGJBSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etrosteron (CAS 78492-56-5), with molecular formula C40H60O4 and molecular weight 604.45 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-13-methyl-3-undec-10-enoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undec-10-enoate.
Chemical Property Profile of Etrosteron
Property Insights of Etrosteron
The XLogP value of 11.6 indicates that Etrosteron is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Etrosteron exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Etrosteron has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Etrosteron?
The CAS number of Etrosteron is 78492-56-5.
What is the molecular formula of Etrosteron?
The molecular formula of Etrosteron is C40H60O4.
What is the molecular weight of Etrosteron?
The molecular weight of Etrosteron is 604.45 g/mol.
Where can I buy Etrosteron?
You can request a quote for Etrosteron directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etrosteron?
Yes, KEHONG BIO provides custom synthesis services for Etrosteron and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.