3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one
TL;DR: 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one (CAS 126291-41-6) is a chemical compound with molecular formula C20H25NO5 and molecular weight 359.17328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8R,9S,13S,14S)-3,4-dimethoxy-13-methyl-1-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: Dimeneo, 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one, 3,4-dimethoxy-1-nitroestra-1,3,5(10)-trien-17-one, Estra-1,3,5(10)-trien-17-one, 3,4-dimethoxy-1-nitro-, (8R,9S,13S,14S)-3,4-dimethoxy-13-methyl-1-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Technical Specifications
| Molecular Formula | C20H25NO5 |
| Molecular Weight | 359.17328 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.17328 Da |
| Heavy Atoms | 26 |
| Complexity | 589.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C(=CC(=C4OC)OC)[N+](=O)[O-] |
| InChIKey | PYKQKRZEODFWAP-NXXNRAFRSA-N |
Chemical Property Profile of 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one
Property Insights of 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one
The XLogP value of 3.7 indicates that 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one. Following Lipinski's Rule of Five, 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one?
The CAS number of 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one is 126291-41-6.
What is the molecular formula of 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one?
The molecular formula of 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one is C20H25NO5.
What is the molecular weight of 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one?
The molecular weight of 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one is 359.17328 g/mol.
Where can I buy 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one?
You can request a quote for 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one?
Yes, CoreyChem provides custom synthesis services for 3,4-Dimethoxy-1-nitro-1,3,5(10)-estratrien-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.