(2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid
TL;DR: (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid (CAS 1263273-40-0) is a chemical compound with molecular formula C12H7BrO4 and molecular weight 293.95276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(6-bromo-4-oxochromen-3-yl)prop-2-enoic acid
Also Known As: (E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)acrylic acid, 3-(6-bromo-4-oxo-chromen-3-yl)prop-2-enoic Acid, (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid, (E)-3-(6-bromo-4-oxochromen-3-yl)prop-2-enoic acid
Technical Specifications
| Molecular Formula | C12H7BrO4 |
| Molecular Weight | 293.95276 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.95276 Da |
| Heavy Atoms | 17 |
| Complexity | 399.0 |
| SMILES | C1=CC2=C(C=C1Br)C(=O)C(=CO2)/C=C/C(=O)O |
| InChIKey | NGCUIVHNEQBHCS-DAFODLJHSA-N |
Chemical Property Profile of (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid
Property Insights of (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid 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
What is the CAS number of (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid?
The CAS number of (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid is 1263273-40-0.
What is the molecular formula of (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid?
The molecular formula of (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid is C12H7BrO4.
What is the molecular weight of (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid?
The molecular weight of (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid is 293.95276 g/mol.
Where can I buy (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid?
You can request a quote for (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (2E)-3-(6-bromo-4-oxo-4H-chromen-3-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.