Estrane-3,17-dione
TL;DR: Estrane-3,17-dione (CAS 85249-09-8) is a chemical compound with molecular formula C18H26O2 and molecular weight 274.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione
Also Known As: Estrane-3,17-dione, estradiol, (5alpha)-Estrane-3,17-dione, 5alpha-Estrane-3,17-dione, Zuranolone impurity 3
| Molecular Formula | C18H26O2 |
|---|---|
| Molecular Weight | 274.19 g/mol |
| LogP | 3.7772 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.19327 |
| Heavy Atoms | 20 |
| Complexity | 454.33456 |
Chemical Identifiers
| CAS Number | 85249-09-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@H]3CCC(=O)C4 |
Product Overview
Estrane-3,17-dione (CAS 85249-09-8), with molecular formula C18H26O2 and molecular weight 274.19 g/mol. IUPAC: (5S,8R,9R,10S,13S,14S)-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of Estrane-3,17-dione
Property Insights of Estrane-3,17-dione
The XLogP value of 3.7772 indicates that Estrane-3,17-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, Estrane-3,17-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estrane-3,17-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estrane-3,17-dione?
The CAS number of Estrane-3,17-dione is 85249-09-8.
What is the molecular formula of Estrane-3,17-dione?
The molecular formula of Estrane-3,17-dione is C18H26O2.
What is the molecular weight of Estrane-3,17-dione?
The molecular weight of Estrane-3,17-dione is 274.19 g/mol.
Where can I buy Estrane-3,17-dione?
You can request a quote for Estrane-3,17-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estrane-3,17-dione?
Yes, KEHONG BIO provides custom synthesis services for Estrane-3,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.