15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)-
TL;DR: 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)- (CAS 49849-07-2) is a chemical compound with molecular formula C22H28O3 and molecular weight 340.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,3bR,9bS,11aS)-7-cyclopentyloxy-11a-methyl-3b,4,5,9b,10,11-hexahydro-3aH-naphtho[1,2-g][1]benzofuran-1-one
Also Known As: 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)-, 15-Oxa-3-(cyclopentyloxy)-1,3,5(10)-estratrien-17-one, 3-(Cyclopentyloxy)-15-oxaestra-1,3,5(10)-trien-17-one, (3aS,3bR,9bS,11aS)-7-(Cyclopentyloxy)-11a-methyl-3a,3b,4,5,9b,10,11,11a-octahydrophenanthro[1,2-b]furan-1(2H)-one, (3aS,3bR,9bS,11aS)-7-cyclopentyloxy-11a-methyl-3b,4,5,9b,10,11-hexahydro-3aH-naphtho[1,2-g][1]benzofuran-1-one
| Molecular Formula | C22H28O3 |
|---|---|
| Molecular Weight | 340.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.20386 |
| Heavy Atoms | 25 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 49849-07-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1OCC2=O)CCC4=C3C=CC(=C4)OC5CCCC5 |
| InChIKey | COHCBZXNSQMOML-KRXUUXHPSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)- (CAS 49849-07-2), with molecular formula C22H28O3 and molecular weight 340.20 g/mol. IUPAC: (3aS,3bR,9bS,11aS)-7-cyclopentyloxy-11a-methyl-3b,4,5,9b,10,11-hexahydro-3aH-naphtho[1,2-g][1]benzofuran-1-one.
Chemical Property Profile of 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)-
Property Insights of 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)-
The XLogP value of 4.4 indicates that 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)- has 0 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-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)-?
The CAS number of 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)- is 49849-07-2.
What is the molecular formula of 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)-?
The molecular formula of 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)- is C22H28O3.
What is the molecular weight of 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)-?
The molecular weight of 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)- is 340.20 g/mol.
Where can I buy 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)-?
You can request a quote for 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 15-Oxaestra-1,3,5(10)-trien-17-one, 3-(cyclopentyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.