4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one
TL;DR: 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one (CAS 126291-42-7) is a chemical compound with molecular formula C19H22BrNO4 and molecular weight 407.0732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8R,9S,13S,14S)-4-bromo-3-methoxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: Brmeneo, 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one, 4-Bromo-3-methoxy-2-nitroestra-1(10),2,4-trien-17-one, (8R,9S,13S,14S)-4-bromo-3-methoxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one, Estra-1,3,5(10)-trien-17-one, 4-bromo-3-methoxy-2-nitro-
Technical Specifications
| Molecular Formula | C19H22BrNO4 |
| Molecular Weight | 407.0732 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 407.0732 Da |
| Heavy Atoms | 25 |
| Complexity | 578.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=C(C=C34)[N+](=O)[O-])OC)Br |
| InChIKey | IWZBTBVKRYVUAZ-VNXHFNNKSA-N |
Chemical Property Profile of 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one
Property Insights of 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one
The XLogP value of 4.0 indicates that 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one. Following Lipinski's Rule of Five, 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one?
The CAS number of 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one is 126291-42-7.
What is the molecular formula of 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one?
The molecular formula of 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one is C19H22BrNO4.
What is the molecular weight of 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one?
The molecular weight of 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one is 407.0732 g/mol.
Where can I buy 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one?
You can request a quote for 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-3-methoxy-2-nitro-1,3,5(10)-estratriene-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.