3-Bromo-7-hydroxy-4,8-dimethylcoumarin
TL;DR: 3-Bromo-7-hydroxy-4,8-dimethylcoumarin (CAS 167029-12-1) is a chemical compound with molecular formula C11H9BrO3 and molecular weight 267.9735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-7-hydroxy-4,8-dimethylchromen-2-one
Also Known As: 3-bromo-7-hydroxy-4,8-dimethylcoumarin, 3-bromo-7-hydroxy-4,8-dimethylchromen-2-one, 3-bromo-7-hydroxy-4,8-dimethyl-2H-chromen-2-one, J1.762.729E, AN-829/14685019
Technical Specifications
| Molecular Formula | C11H9BrO3 |
| Molecular Weight | 267.9735 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.9735 Da |
| Heavy Atoms | 15 |
| Complexity | 324.0 |
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)O)Br |
| InChIKey | CUZVPTYKIQMJDT-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromo-7-hydroxy-4,8-dimethylcoumarin
Property Insights of 3-Bromo-7-hydroxy-4,8-dimethylcoumarin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-7-hydroxy-4,8-dimethylcoumarin. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Bromo-7-hydroxy-4,8-dimethylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-7-hydroxy-4,8-dimethylcoumarin 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 3-Bromo-7-hydroxy-4,8-dimethylcoumarin?
The CAS number of 3-Bromo-7-hydroxy-4,8-dimethylcoumarin is 167029-12-1.
What is the molecular formula of 3-Bromo-7-hydroxy-4,8-dimethylcoumarin?
The molecular formula of 3-Bromo-7-hydroxy-4,8-dimethylcoumarin is C11H9BrO3.
What is the molecular weight of 3-Bromo-7-hydroxy-4,8-dimethylcoumarin?
The molecular weight of 3-Bromo-7-hydroxy-4,8-dimethylcoumarin is 267.9735 g/mol.
Where can I buy 3-Bromo-7-hydroxy-4,8-dimethylcoumarin?
You can request a quote for 3-Bromo-7-hydroxy-4,8-dimethylcoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-7-hydroxy-4,8-dimethylcoumarin?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-7-hydroxy-4,8-dimethylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.