4-Bromomethyl-7-hydroxycoumarin
TL;DR: 4-Bromomethyl-7-hydroxycoumarin (CAS 161798-25-0) is a chemical compound with molecular formula C10H7BrO3 and molecular weight 253.95786 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(bromomethyl)-7-hydroxychromen-2-one
Also Known As: 4-(Bromomethyl)-7-hydroxy-2H-chromen-2-one, 4-bromomethyl-7-hydroxycoumarin, 7-Hydroxy-4-(bromomethyl)coumarin, 4-(bromomethyl)umbelliferone, 4-(bromomethyl)-7-hydroxychromen-2-one
Technical Specifications
| Molecular Formula | C10H7BrO3 |
| Molecular Weight | 253.95786 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.95786 Da |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
| SMILES | C1=CC2=C(C=C1O)OC(=O)C=C2CBr |
| InChIKey | XFNVWGFZARBVBT-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromomethyl-7-hydroxycoumarin
Property Insights of 4-Bromomethyl-7-hydroxycoumarin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromomethyl-7-hydroxycoumarin. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Bromomethyl-7-hydroxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromomethyl-7-hydroxycoumarin 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 4-Bromomethyl-7-hydroxycoumarin?
The CAS number of 4-Bromomethyl-7-hydroxycoumarin is 161798-25-0.
What is the molecular formula of 4-Bromomethyl-7-hydroxycoumarin?
The molecular formula of 4-Bromomethyl-7-hydroxycoumarin is C10H7BrO3.
What is the molecular weight of 4-Bromomethyl-7-hydroxycoumarin?
The molecular weight of 4-Bromomethyl-7-hydroxycoumarin is 253.95786 g/mol.
Where can I buy 4-Bromomethyl-7-hydroxycoumarin?
You can request a quote for 4-Bromomethyl-7-hydroxycoumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromomethyl-7-hydroxycoumarin?
Yes, CoreyChem provides custom synthesis services for 4-Bromomethyl-7-hydroxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.