4-Bromomethyl-6,7-dimethoxycoumarin
TL;DR: 4-Bromomethyl-6,7-dimethoxycoumarin (CAS 94266-01-0) is a chemical compound with molecular formula C12H11BrO4 and molecular weight 297.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(bromomethyl)-6,7-dimethoxychromen-2-one
Also Known As: 4-Bromomethyl-6,7-dimethoxycoumarin, 4-Bdmc, 4-(bromomethyl)-6,7-dimethoxy-2h-chromen-2-one, Brdmc-4,6,7, 4-(Bromomethyl)-6,7-dimethoxycoumarin
| Molecular Formula | C12H11BrO4 |
|---|---|
| Molecular Weight | 297.98 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.98407 |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 94266-01-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC |
| InChIKey | JGODLBJJCNQFII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromomethyl-6,7-dimethoxycoumarin (CAS 94266-01-0), with molecular formula C12H11BrO4 and molecular weight 297.98 g/mol. IUPAC: 4-(bromomethyl)-6,7-dimethoxychromen-2-one.
Chemical Property Profile of 4-Bromomethyl-6,7-dimethoxycoumarin
Property Insights of 4-Bromomethyl-6,7-dimethoxycoumarin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromomethyl-6,7-dimethoxycoumarin. With a topological polar surface area (TPSA) of 44.8 Ų, 4-Bromomethyl-6,7-dimethoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromomethyl-6,7-dimethoxycoumarin 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-dimethoxycoumarin?
The CAS number of 4-Bromomethyl-6,7-dimethoxycoumarin is 94266-01-0.
What is the molecular formula of 4-Bromomethyl-6,7-dimethoxycoumarin?
The molecular formula of 4-Bromomethyl-6,7-dimethoxycoumarin is C12H11BrO4.
What is the molecular weight of 4-Bromomethyl-6,7-dimethoxycoumarin?
The molecular weight of 4-Bromomethyl-6,7-dimethoxycoumarin is 297.98 g/mol.
Where can I buy 4-Bromomethyl-6,7-dimethoxycoumarin?
You can request a quote for 4-Bromomethyl-6,7-dimethoxycoumarin 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-dimethoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromomethyl-6,7-dimethoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.