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7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one
TL;DR: 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one (CAS 72478-67-2) is a chemical compound with molecular formula C13H11BrO3 and molecular weight 293.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-bromoprop-2-enoxy)-4-methylchromen-2-one
Also Known As: 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one, 4-methyl-7-(2'-bromoallyloxy) coumarin, NCI60_003574, 7-(2-bromoprop-2-enoxy)-4-methylchromen-2-one, 7-[(2-bromoprop-2-en-1-yl)oxy]-4-methylchromen-2-one
| Molecular Formula | C13H11BrO3 |
|---|---|
| Molecular Weight | 293.99 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.98917 |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 72478-67-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=C)Br |
| InChIKey | SIEZLKYPPOEGKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one (CAS 72478-67-2), with molecular formula C13H11BrO3 and molecular weight 293.99 g/mol. IUPAC: 7-(2-bromoprop-2-enoxy)-4-methylchromen-2-one.
Chemical Property Profile of 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one
Property Insights of 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one
The XLogP value of 3.4 indicates that 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one 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 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one?
The CAS number of 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one is 72478-67-2.
What is the molecular formula of 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one?
The molecular formula of 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one is C13H11BrO3.
What is the molecular weight of 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one?
The molecular weight of 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one is 293.99 g/mol.
Where can I buy 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one?
You can request a quote for 7-[(2-bromoallyl)oxy]-4-methyl-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-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.