Estr-4-ene-3,11,17-trione
TL;DR: Estr-4-ene-3,11,17-trione (CAS 6615-01-6) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10R,13S,14S)-13-methyl-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11,17-trione
Also Known As: Estr-4-ene-3,11,17-trione, (8S,9S,10R,13S,14S)-13-methyl-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11,17-trione, 613-903-5, RefChem:137897
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.1569 |
| Heavy Atoms | 21 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 6615-01-6 |
|---|---|
| SMILES | C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34 |
| InChIKey | QLNOWXZCDMQJRK-PUMWCKSCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estr-4-ene-3,11,17-trione (CAS 6615-01-6), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: (8S,9S,10R,13S,14S)-13-methyl-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11,17-trione.
Chemical Property Profile of Estr-4-ene-3,11,17-trione
Property Insights of Estr-4-ene-3,11,17-trione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estr-4-ene-3,11,17-trione. With a topological polar surface area (TPSA) of 51.2 Ų, Estr-4-ene-3,11,17-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estr-4-ene-3,11,17-trione has 0 hydrogen bond donor(s) and 3 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 Estr-4-ene-3,11,17-trione?
The CAS number of Estr-4-ene-3,11,17-trione is 6615-01-6.
What is the molecular formula of Estr-4-ene-3,11,17-trione?
The molecular formula of Estr-4-ene-3,11,17-trione is C18H22O3.
What is the molecular weight of Estr-4-ene-3,11,17-trione?
The molecular weight of Estr-4-ene-3,11,17-trione is 286.16 g/mol.
Where can I buy Estr-4-ene-3,11,17-trione?
You can request a quote for Estr-4-ene-3,11,17-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estr-4-ene-3,11,17-trione?
Yes, KEHONG BIO provides custom synthesis services for Estr-4-ene-3,11,17-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.