4-Bromomethyl-7-methoxycoumarin
TL;DR: 4-Bromomethyl-7-methoxycoumarin (CAS 35231-44-8) is a chemical compound with molecular formula C11H9BrO3 and molecular weight 267.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(bromomethyl)-7-methoxychromen-2-one
Also Known As: 4-bromomethyl-7-methoxycoumarin, Br-Mmc, 4-(Bromomethyl)-7-methoxy-2H-chromen-2-one, 4-(Bromomethyl)-7-methoxycoumarin, 4-(bromomethyl)-7-methoxychromen-2-one
| Molecular Formula | C11H9BrO3 |
|---|---|
| Molecular Weight | 267.97 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.9735 |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 35231-44-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=CC(=O)O2)CBr |
| InChIKey | CTENSLORRMFPDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromomethyl-7-methoxycoumarin (CAS 35231-44-8), with molecular formula C11H9BrO3 and molecular weight 267.97 g/mol. IUPAC: 4-(bromomethyl)-7-methoxychromen-2-one.
Chemical Property Profile of 4-Bromomethyl-7-methoxycoumarin
Property Insights of 4-Bromomethyl-7-methoxycoumarin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromomethyl-7-methoxycoumarin. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Bromomethyl-7-methoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromomethyl-7-methoxycoumarin has 0 hydrogen bond donor(s) and 3 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-7-methoxycoumarin?
The CAS number of 4-Bromomethyl-7-methoxycoumarin is 35231-44-8.
What is the molecular formula of 4-Bromomethyl-7-methoxycoumarin?
The molecular formula of 4-Bromomethyl-7-methoxycoumarin is C11H9BrO3.
What is the molecular weight of 4-Bromomethyl-7-methoxycoumarin?
The molecular weight of 4-Bromomethyl-7-methoxycoumarin is 267.97 g/mol.
Where can I buy 4-Bromomethyl-7-methoxycoumarin?
You can request a quote for 4-Bromomethyl-7-methoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromomethyl-7-methoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromomethyl-7-methoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.