3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione
TL;DR: 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione (CAS 7533-97-3) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,13S,14S)-3-hydroxy-13-methyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-dione
Also Known As: Sid 770795, 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione, 3-hydroxyestra-1(10),2,4-triene-11,17-dione, 3-Hydroxyestra-1,3,5(10)-triene-11,17-dione, Estra-1,3,5(10)-triene-11,17-dione, 3-hydroxy-, (9 beta)-
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 7533-97-3 |
|---|---|
| SMILES | C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O |
| InChIKey | WKUQOYYYFVBROI-ZZCKCESHSA-N |
Product Overview
3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione (CAS 7533-97-3), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: (8S,9S,13S,14S)-3-hydroxy-13-methyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-dione.
Chemical Property Profile of 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione
Property Insights of 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione has 1 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 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione?
The CAS number of 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione is 7533-97-3.
What is the molecular formula of 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione?
The molecular formula of 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione is C18H20O3.
What is the molecular weight of 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione?
The molecular weight of 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione is 284.14 g/mol.
Where can I buy 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione?
You can request a quote for 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-9 beta-estra-1,3,5(10)-triene-11,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.