Estra-4,6-diene-3,17-dione
TL;DR: Estra-4,6-diene-3,17-dione (CAS 13306-67-7) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S)-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
Also Known As: 4,6-Estradiene-3,17-dione, Estra-4,6-diene-3,17-dione, 4,6-estradien-3,17-dione, 19-Nor-androsta-4,6-dien-3,17-dion, (8R,9S,10R,13S,14S)-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 13306-67-7 |
|---|---|
| SMILES | C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CCC2=O |
| InChIKey | GKSFRYHLOMZMFQ-QXUSFIETSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estra-4,6-diene-3,17-dione (CAS 13306-67-7), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: (8R,9S,10R,13S,14S)-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of Estra-4,6-diene-3,17-dione
Property Insights of Estra-4,6-diene-3,17-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estra-4,6-diene-3,17-dione. With a topological polar surface area (TPSA) of 34.1 Ų, Estra-4,6-diene-3,17-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-4,6-diene-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 Estra-4,6-diene-3,17-dione?
The CAS number of Estra-4,6-diene-3,17-dione is 13306-67-7.
What is the molecular formula of Estra-4,6-diene-3,17-dione?
The molecular formula of Estra-4,6-diene-3,17-dione is C18H22O2.
What is the molecular weight of Estra-4,6-diene-3,17-dione?
The molecular weight of Estra-4,6-diene-3,17-dione is 270.16 g/mol.
Where can I buy Estra-4,6-diene-3,17-dione?
You can request a quote for Estra-4,6-diene-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 Estra-4,6-diene-3,17-dione?
Yes, KEHONG BIO provides custom synthesis services for Estra-4,6-diene-3,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.