2-Butenoic acid, 3-bromo-2-chloro-4-oxo-
TL;DR: 2-Butenoic acid, 3-bromo-2-chloro-4-oxo- (CAS 51742-42-8) is a chemical compound with molecular formula C4H2BrClO3 and molecular weight 211.88757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-2-chloro-4-oxobut-2-enoic acid
Also Known As: 2-Butenoic acid, 3-bromo-2-chloro-4-oxo-, 3-Bromo-2-chloro-4-oxo-2-butenoic acid, (Z)-3-Bromo-2-chloro-4-oxo-but-2-enoic acid
Technical Specifications
| Molecular Formula | C4H2BrClO3 |
| Molecular Weight | 211.88757 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.88757 Da |
| Heavy Atoms | 9 |
| Complexity | 175.0 |
| SMILES | C(=O)C(=C(C(=O)O)Cl)Br |
| InChIKey | ALLBBCMVBCVCKG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butenoic acid, 3-bromo-2-chloro-4-oxo-
Property Insights of 2-Butenoic acid, 3-bromo-2-chloro-4-oxo-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 3-bromo-2-chloro-4-oxo-. With a topological polar surface area (TPSA) of 54.4 Ų, 2-Butenoic acid, 3-bromo-2-chloro-4-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-bromo-2-chloro-4-oxo- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Butenoic acid, 3-bromo-2-chloro-4-oxo-?
The CAS number of 2-Butenoic acid, 3-bromo-2-chloro-4-oxo- is 51742-42-8.
What is the molecular formula of 2-Butenoic acid, 3-bromo-2-chloro-4-oxo-?
The molecular formula of 2-Butenoic acid, 3-bromo-2-chloro-4-oxo- is C4H2BrClO3.
What is the molecular weight of 2-Butenoic acid, 3-bromo-2-chloro-4-oxo-?
The molecular weight of 2-Butenoic acid, 3-bromo-2-chloro-4-oxo- is 211.88757 g/mol.
Where can I buy 2-Butenoic acid, 3-bromo-2-chloro-4-oxo-?
You can request a quote for 2-Butenoic acid, 3-bromo-2-chloro-4-oxo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butenoic acid, 3-bromo-2-chloro-4-oxo-?
Yes, CoreyChem provides custom synthesis services for 2-Butenoic acid, 3-bromo-2-chloro-4-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.