6-Bromo-3-(trifluoroacetyl)coumarin
TL;DR: 6-Bromo-3-(trifluoroacetyl)coumarin (CAS 530141-47-0) is a chemical compound with molecular formula C11H4BrF3O3 and molecular weight 319.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-(2,2,2-trifluoroacetyl)chromen-2-one
Also Known As: 6-Bromo-3-(trifluoroacetyl)coumarin, 6-bromo-3-(2,2,2-trifluoroacetyl)chromen-2-one, 6-bromo-3-(trifluoroacetyl)chromen-2-one, 6-Bromo-3-(trifluoroacetyl)-2H-1-benzopyran-2-one, 2H-1-Benzopyran-2-one, 6-bromo-3-(2,2,2-trifluoroacetyl)-
| Molecular Formula | C11H4BrF3O3 |
|---|---|
| Molecular Weight | 319.93 g/mol |
| LogP | 3.3005 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.9296 |
| Heavy Atoms | 18 |
| Complexity | 687.9734 |
Chemical Identifiers
| CAS Number | 530141-47-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=O)C(F)(F)F |
Product Overview
6-Bromo-3-(trifluoroacetyl)coumarin (CAS 530141-47-0), with molecular formula C11H4BrF3O3 and molecular weight 319.93 g/mol. IUPAC: 6-bromo-3-(2,2,2-trifluoroacetyl)chromen-2-one.
Chemical Property Profile of 6-Bromo-3-(trifluoroacetyl)coumarin
Property Insights of 6-Bromo-3-(trifluoroacetyl)coumarin
The XLogP value of 3.3005 indicates that 6-Bromo-3-(trifluoroacetyl)coumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.28 Ų, 6-Bromo-3-(trifluoroacetyl)coumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-3-(trifluoroacetyl)coumarin 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 6-Bromo-3-(trifluoroacetyl)coumarin?
The CAS number of 6-Bromo-3-(trifluoroacetyl)coumarin is 530141-47-0.
What is the molecular formula of 6-Bromo-3-(trifluoroacetyl)coumarin?
The molecular formula of 6-Bromo-3-(trifluoroacetyl)coumarin is C11H4BrF3O3.
What is the molecular weight of 6-Bromo-3-(trifluoroacetyl)coumarin?
The molecular weight of 6-Bromo-3-(trifluoroacetyl)coumarin is 319.93 g/mol.
Where can I buy 6-Bromo-3-(trifluoroacetyl)coumarin?
You can request a quote for 6-Bromo-3-(trifluoroacetyl)coumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-3-(trifluoroacetyl)coumarin?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-3-(trifluoroacetyl)coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.