7-Hydroxy-3-(2-bromoacetyl) coumarin
TL;DR: 7-Hydroxy-3-(2-bromoacetyl) coumarin (CAS 199600-29-8) 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.
3-(2-bromoacetyl)-7-hydroxychromen-2-one
Also Known As: 7-hydroxy-3-(2-bromoacetyl) coumarin, 3-(2-bromoacetyl)-7-hydroxychromen-2-one, 3-(2-bromoacetyl)-7-hydroxy-chromen-2-one, 3-(2-bromoacetyl)-7-hydroxy-2H-chromen-2-one
| Molecular Formula | C11H7BrO4 |
|---|---|
| Molecular Weight | 281.95 g/mol |
| LogP | 2.0762 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.95276 |
| Heavy Atoms | 16 |
| Complexity | 614.90094 |
Chemical Identifiers
| CAS Number | 199600-29-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)OC(=O)C(=C2)C(=O)CBr |
Product Overview
7-Hydroxy-3-(2-bromoacetyl) coumarin (CAS 199600-29-8), with molecular formula C11H7BrO4 and molecular weight 281.95 g/mol. IUPAC: 3-(2-bromoacetyl)-7-hydroxychromen-2-one.
Chemical Property Profile of 7-Hydroxy-3-(2-bromoacetyl) coumarin
Property Insights of 7-Hydroxy-3-(2-bromoacetyl) coumarin
The XLogP value of 2.0762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxy-3-(2-bromoacetyl) coumarin. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hydroxy-3-(2-bromoacetyl) coumarin. Following Lipinski's Rule of Five, 7-Hydroxy-3-(2-bromoacetyl) coumarin has 1 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 7-Hydroxy-3-(2-bromoacetyl) coumarin?
The CAS number of 7-Hydroxy-3-(2-bromoacetyl) coumarin is 199600-29-8.
What is the molecular formula of 7-Hydroxy-3-(2-bromoacetyl) coumarin?
The molecular formula of 7-Hydroxy-3-(2-bromoacetyl) coumarin is C11H7BrO4.
What is the molecular weight of 7-Hydroxy-3-(2-bromoacetyl) coumarin?
The molecular weight of 7-Hydroxy-3-(2-bromoacetyl) coumarin is 281.95 g/mol.
Where can I buy 7-Hydroxy-3-(2-bromoacetyl) coumarin?
You can request a quote for 7-Hydroxy-3-(2-bromoacetyl) coumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxy-3-(2-bromoacetyl) coumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxy-3-(2-bromoacetyl) coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.