7-(Bromomethyl)-2h-chromen-2-one
TL;DR: 7-(Bromomethyl)-2h-chromen-2-one (CAS 53878-12-9) is a chemical compound with molecular formula C10H7BrO2 and molecular weight 237.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(bromomethyl)chromen-2-one
Also Known As: 7-(bromomethyl)-2h-chromen-2-one, 7-bromomethylcoumarin, 7-bromomethy1coumarin, 7-bromomethyl coumarin, 7-(bromomethyl)chromen-2-one
| Molecular Formula | C10H7BrO2 |
|---|---|
| Molecular Weight | 237.96 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.96294 |
| Heavy Atoms | 13 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 53878-12-9 |
|---|---|
| SMILES | C1=CC(=CC2=C1C=CC(=O)O2)CBr |
| InChIKey | PIRJLYFMCACMRZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-(Bromomethyl)-2h-chromen-2-one (CAS 53878-12-9), with molecular formula C10H7BrO2 and molecular weight 237.96 g/mol. IUPAC: 7-(bromomethyl)chromen-2-one.
Chemical Property Profile of 7-(Bromomethyl)-2h-chromen-2-one
Property Insights of 7-(Bromomethyl)-2h-chromen-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Bromomethyl)-2h-chromen-2-one. With a topological polar surface area (TPSA) of 26.3 Ų, 7-(Bromomethyl)-2h-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Bromomethyl)-2h-chromen-2-one 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
Frequently Asked Questions
What is the CAS number of 7-(Bromomethyl)-2h-chromen-2-one?
The CAS number of 7-(Bromomethyl)-2h-chromen-2-one is 53878-12-9.
What is the molecular formula of 7-(Bromomethyl)-2h-chromen-2-one?
The molecular formula of 7-(Bromomethyl)-2h-chromen-2-one is C10H7BrO2.
What is the molecular weight of 7-(Bromomethyl)-2h-chromen-2-one?
The molecular weight of 7-(Bromomethyl)-2h-chromen-2-one is 237.96 g/mol.
Where can I buy 7-(Bromomethyl)-2h-chromen-2-one?
You can request a quote for 7-(Bromomethyl)-2h-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Bromomethyl)-2h-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(Bromomethyl)-2h-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.