O-Desmethylbrofaromine
TL;DR: O-Desmethylbrofaromine (CAS 120465-04-5) is a chemical compound with molecular formula C13H14BrNO2 and molecular weight 295.02078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-bromo-2-piperidin-4-yl-1-benzofuran-5-ol
Also Known As: O-Desmethylbrofaromine, O-Desmethyl-brofaromine, 7-bromo-2-piperidin-4-yl-1-benzofuran-5-ol, 5-Benzofuranol, 7-bromo-2-(4-piperidinyl)-, 7-Bromo-2-(piperidin-4-yl)benzofuran-5-ol
Technical Specifications
| Molecular Formula | C13H14BrNO2 |
| Molecular Weight | 295.02078 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 45.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.02078 Da |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
| SMILES | C1CNCCC1C2=CC3=CC(=CC(=C3O2)Br)O |
| InChIKey | ROFOHNHESMVUGP-UHFFFAOYSA-N |
Chemical Property Profile of O-Desmethylbrofaromine
Property Insights of O-Desmethylbrofaromine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Desmethylbrofaromine. With a topological polar surface area (TPSA) of 45.4 Ų, O-Desmethylbrofaromine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Desmethylbrofaromine 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
What is the CAS number of O-Desmethylbrofaromine?
The CAS number of O-Desmethylbrofaromine is 120465-04-5.
What is the molecular formula of O-Desmethylbrofaromine?
The molecular formula of O-Desmethylbrofaromine is C13H14BrNO2.
What is the molecular weight of O-Desmethylbrofaromine?
The molecular weight of O-Desmethylbrofaromine is 295.02078 g/mol.
Where can I buy O-Desmethylbrofaromine?
You can request a quote for O-Desmethylbrofaromine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-Desmethylbrofaromine?
Yes, CoreyChem provides custom synthesis services for O-Desmethylbrofaromine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.