3-Bromo-2-coumaranone
TL;DR: 3-Bromo-2-coumaranone (CAS 115035-43-3) is a chemical compound with molecular formula C8H5BrO2 and molecular weight 211.9473 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-3H-1-benzofuran-2-one
Also Known As: 3-Bromo-2-coumaranone, 3-bromo-2-coumarone, 3-Bromobenzofuran-2(3H)-one, 3-bromo-3H-1-benzofuran-2-one, 3-bromo-3H-benzofuran-2-one
Technical Specifications
| Molecular Formula | C8H5BrO2 |
| Molecular Weight | 211.9473 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.9473 Da |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
| SMILES | C1=CC=C2C(=C1)C(C(=O)O2)Br |
| InChIKey | MXSVEBOOHMKMQG-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-2-coumaranone
Property Insights of 3-Bromo-2-coumaranone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-coumaranone. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Bromo-2-coumaranone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-coumaranone has 0 hydrogen bond donor(s) and 2 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-Bromo-2-coumaranone?
The CAS number of 3-Bromo-2-coumaranone is 115035-43-3.
What is the molecular formula of 3-Bromo-2-coumaranone?
The molecular formula of 3-Bromo-2-coumaranone is C8H5BrO2.
What is the molecular weight of 3-Bromo-2-coumaranone?
The molecular weight of 3-Bromo-2-coumaranone is 211.9473 g/mol.
Where can I buy 3-Bromo-2-coumaranone?
You can request a quote for 3-Bromo-2-coumaranone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-2-coumaranone?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-2-coumaranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.