3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid
TL;DR: 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid (CAS 1025273-83-9) is a chemical compound with molecular formula C10H6BrF2NO3 and molecular weight 304.94992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-bromo-4,6-difluoroanilino)-4-oxobut-2-enoic acid
Also Known As: 3-(N-(2-BROMO-4,6-DIFLUOROPHENYL)CARBAMOYL)PROP-2-ENOIC ACID, 4-(2-bromo-4,6-difluoroanilino)-4-oxobut-2-enoic acid, 3-[(2-bromo-4,6-difluoro-phenyl)carbamoyl]prop-2-enoic Acid, (2E)-3-[(2-bromo-4,6-difluorophenyl)carbamoyl]prop-2-enoic acid
Technical Specifications
| Molecular Formula | C10H6BrF2NO3 |
| Molecular Weight | 304.94992 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.94992 Da |
| Heavy Atoms | 17 |
| Complexity | 338.0 |
| SMILES | C1=C(C=C(C(=C1F)NC(=O)C=CC(=O)O)Br)F |
| InChIKey | MVVQCCXBUSKZDW-UHFFFAOYSA-N |
Chemical Property Profile of 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid
Property Insights of 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid?
The CAS number of 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid is 1025273-83-9.
What is the molecular formula of 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid?
The molecular formula of 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid is C10H6BrF2NO3.
What is the molecular weight of 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid?
The molecular weight of 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid is 304.94992 g/mol.
Where can I buy 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid?
You can request a quote for 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(N-(2-Bromo-4,6-difluorophenyl)carbamoyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.