4-Bromomethyl-6,7-methylenedioxycoumarin
TL;DR: 4-Bromomethyl-6,7-methylenedioxycoumarin (CAS 5431-08-3) is a chemical compound with molecular formula C11H7BrO4 and molecular weight 281.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(bromomethyl)-[1,3]dioxolo[4,5-g]chromen-6-one
Also Known As: BrMDC, 4-Bromomethyl-6,7-methylenedioxycoumarin, 8-(bromomethyl)-[1,3]dioxolo[4,5-g]chromen-6-one, 4-bromomethyl-6,7-methylenedioxy-coumarin, 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-one, 8-(bromomethyl)-
| Molecular Formula | C11H7BrO4 |
|---|---|
| Molecular Weight | 281.95 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.95276 |
| Heavy Atoms | 16 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 5431-08-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(=CC(=O)O3)CBr |
| InChIKey | NCAGFJSHHAMSLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromomethyl-6,7-methylenedioxycoumarin (CAS 5431-08-3), with molecular formula C11H7BrO4 and molecular weight 281.95 g/mol. IUPAC: 8-(bromomethyl)-[1,3]dioxolo[4,5-g]chromen-6-one.
Chemical Property Profile of 4-Bromomethyl-6,7-methylenedioxycoumarin
Property Insights of 4-Bromomethyl-6,7-methylenedioxycoumarin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromomethyl-6,7-methylenedioxycoumarin. With a topological polar surface area (TPSA) of 44.8 Ų, 4-Bromomethyl-6,7-methylenedioxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromomethyl-6,7-methylenedioxycoumarin has 0 hydrogen bond donor(s) and 4 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 4-Bromomethyl-6,7-methylenedioxycoumarin?
The CAS number of 4-Bromomethyl-6,7-methylenedioxycoumarin is 5431-08-3.
What is the molecular formula of 4-Bromomethyl-6,7-methylenedioxycoumarin?
The molecular formula of 4-Bromomethyl-6,7-methylenedioxycoumarin is C11H7BrO4.
What is the molecular weight of 4-Bromomethyl-6,7-methylenedioxycoumarin?
The molecular weight of 4-Bromomethyl-6,7-methylenedioxycoumarin is 281.95 g/mol.
Where can I buy 4-Bromomethyl-6,7-methylenedioxycoumarin?
You can request a quote for 4-Bromomethyl-6,7-methylenedioxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromomethyl-6,7-methylenedioxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromomethyl-6,7-methylenedioxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.