16alpha-Hydroxyestra-4,9,11-trien-3,17-dione
TL;DR: 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione (CAS 80777-59-9) 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,13S,14S,16R)-16-hydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
Also Known As: 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione, 16-Hydroxyestra-4,9,11-triene-3,17-dione, 16alpha-Hydroxyestra-4,9,11-triene-3,17-dione, Estra-4,9,11-triene-3,17-dione, 16-hydroxy-, (16alpha)-, 16.ALPHA.-HYDROXYESTRA-4,9,11-TRIEN-3,17-DIONE
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 1.0 |
| 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 | 637.0 |
Chemical Identifiers
| CAS Number | 80777-59-9 |
|---|---|
| SMILES | C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H](C2=O)O |
| InChIKey | YMBORNLWDZOTOA-HPFXQQBRSA-N |
Product Overview
16alpha-Hydroxyestra-4,9,11-trien-3,17-dione (CAS 80777-59-9), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: (8S,13S,14S,16R)-16-hydroxy-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione
Property Insights of 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16alpha-Hydroxyestra-4,9,11-trien-3,17-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 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione?
The CAS number of 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione is 80777-59-9.
What is the molecular formula of 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione?
The molecular formula of 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione is C18H20O3.
What is the molecular weight of 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione?
The molecular weight of 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione is 284.14 g/mol.
Where can I buy 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione?
You can request a quote for 16alpha-Hydroxyestra-4,9,11-trien-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 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione?
Yes, KEHONG BIO provides custom synthesis services for 16alpha-Hydroxyestra-4,9,11-trien-3,17-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.