Aplysinimine
TL;DR: Aplysinimine (CAS 129138-55-2) is a chemical compound with molecular formula C9H7Br2NO2 and molecular weight 318.88434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,7-dibromo-6-methoxy-3H-1-benzofuran-2-imine
Also Known As: aplysinimine, 2(3H)-Benzofuranimine, 5,7-dibromo-6-methoxy-, 5,7-dibromo-6-methoxy-3H-1-benzofuran-2-imine, 5,7-dibromo-6-methoxy-3H-benzofuran-2-imine, 5,7-Dibromo-6-methoxy-1-benzofuran-2(3H)-imine
Technical Specifications
| Molecular Formula | C9H7Br2NO2 |
| Molecular Weight | 318.88434 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.88434 Da |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
| SMILES | COC1=C(C=C2CC(=N)OC2=C1Br)Br |
| InChIKey | YWNFAVCRETYBMJ-UHFFFAOYSA-N |
Chemical Property Profile of Aplysinimine
Property Insights of Aplysinimine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aplysinimine. With a topological polar surface area (TPSA) of 42.3 Ų, Aplysinimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aplysinimine has 1 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 Aplysinimine?
The CAS number of Aplysinimine is 129138-55-2.
What is the molecular formula of Aplysinimine?
The molecular formula of Aplysinimine is C9H7Br2NO2.
What is the molecular weight of Aplysinimine?
The molecular weight of Aplysinimine is 318.88434 g/mol.
Where can I buy Aplysinimine?
You can request a quote for Aplysinimine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aplysinimine?
Yes, CoreyChem provides custom synthesis services for Aplysinimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.