15-Oxaestradiol
TL;DR: 15-Oxaestradiol (CAS 49849-01-6) is a chemical compound with molecular formula C17H22O3 and molecular weight 274.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3aS,3bR,9bS,11aR)-11a-methyl-2,3a,3b,4,5,9b,10,11-octahydro-1H-naphtho[1,2-g][1]benzofuran-1,7-diol
Also Known As: 15-Oxaestradiol, 15-Oxa-1,3,5(10)-estratriene-3,17-beta-diol, 15-Oxaestra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 15-oxa-1,3,5(10)-estratriene-3,17, A-diol
| Molecular Formula | C17H22O3 |
|---|---|
| Molecular Weight | 274.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.1569 |
| Heavy Atoms | 20 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 49849-01-6 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1OC[C@@H]2O)CCC4=C3C=CC(=C4)O |
| InChIKey | JHBGIEZIDJQZJI-UHDSXZAQSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
15-Oxaestradiol (CAS 49849-01-6), with molecular formula C17H22O3 and molecular weight 274.16 g/mol. IUPAC: (1R,3aS,3bR,9bS,11aR)-11a-methyl-2,3a,3b,4,5,9b,10,11-octahydro-1H-naphtho[1,2-g][1]benzofuran-1,7-diol.
Chemical Property Profile of 15-Oxaestradiol
Property Insights of 15-Oxaestradiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 15-Oxaestradiol. With a topological polar surface area (TPSA) of 49.7 Ų, 15-Oxaestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 15-Oxaestradiol has 2 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-Oxaestradiol?
The CAS number of 15-Oxaestradiol is 49849-01-6.
What is the molecular formula of 15-Oxaestradiol?
The molecular formula of 15-Oxaestradiol is C17H22O3.
What is the molecular weight of 15-Oxaestradiol?
The molecular weight of 15-Oxaestradiol is 274.16 g/mol.
Where can I buy 15-Oxaestradiol?
You can request a quote for 15-Oxaestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-Oxaestradiol?
Yes, KEHONG BIO provides custom synthesis services for 15-Oxaestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.