15-Oxaestrone
TL;DR: 15-Oxaestrone (CAS 40715-31-9) is a chemical compound with molecular formula C17H20O3 and molecular weight 272.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS)-7-hydroxy-11a-methyl-3b,4,5,9b,10,11-hexahydro-3aH-naphtho[1,2-g][1]benzofuran-1-one
Also Known As: 15-Oxaestrone, 3-Hydroxy-15-oxaestra-1,3,5(10)-trien-17-one, 15-Oxaestra-1,3,5(10)-trien-17-one, 3-hydroxy-, 7-Hydroxy-11a-methyl-3a,3b,4,5,9b,10,11,11a-octahydrophenanthro[1,2-b]furan-1(2H)-one, (3aS)-7-hydroxy-11a-methyl-3a,3b,4,5,9b,10,11,11a-octahydrophenanthro[1,2-b]furan-1(2H)-one
| Molecular Formula | C17H20O3 |
|---|---|
| Molecular Weight | 272.14 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.14124 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 40715-31-9 |
|---|---|
| SMILES | CC12CCC3C([C@@H]1OCC2=O)CCC4=C3C=CC(=C4)O |
| InChIKey | FANDDLFIYCQQPS-XRFBTWBJSA-N |
Product Overview
15-Oxaestrone (CAS 40715-31-9), with molecular formula C17H20O3 and molecular weight 272.14 g/mol. IUPAC: (3aS)-7-hydroxy-11a-methyl-3b,4,5,9b,10,11-hexahydro-3aH-naphtho[1,2-g][1]benzofuran-1-one.
Chemical Property Profile of 15-Oxaestrone
Property Insights of 15-Oxaestrone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 15-Oxaestrone. With a topological polar surface area (TPSA) of 46.5 Ų, 15-Oxaestrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 15-Oxaestrone 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 15-Oxaestrone?
The CAS number of 15-Oxaestrone is 40715-31-9.
What is the molecular formula of 15-Oxaestrone?
The molecular formula of 15-Oxaestrone is C17H20O3.
What is the molecular weight of 15-Oxaestrone?
The molecular weight of 15-Oxaestrone is 272.14 g/mol.
Where can I buy 15-Oxaestrone?
You can request a quote for 15-Oxaestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-Oxaestrone?
Yes, KEHONG BIO provides custom synthesis services for 15-Oxaestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.