2-Chloro-3-(dichloromethyl)but-2-enedioic acid
TL;DR: 2-Chloro-3-(dichloromethyl)but-2-enedioic acid (CAS 122551-90-0) is a chemical compound with molecular formula C5H3Cl3O4 and molecular weight 231.9097 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-chloro-3-(dichloromethyl)but-2-enedioic acid
Also Known As: ox-MX, 2-chloro-3-(dichloromethyl)but-2-enedioic acid, 2-Butenedioic acid, 2-chloro-3-(dichloromethyl)-, (E)-2-Chloro-3-(dichloromethyl)butenedioic acid, 2-Butenedioic acid,2-chloro-3-(dichloromethyl)-, (2E)-
Technical Specifications
| Molecular Formula | C5H3Cl3O4 |
| Molecular Weight | 231.9097 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.9097 Da |
| Heavy Atoms | 12 |
| Complexity | 245.0 |
| SMILES | C(C(=C(C(=O)O)Cl)C(=O)O)(Cl)Cl |
| InChIKey | CNMCESFYDAVNPQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-3-(dichloromethyl)but-2-enedioic acid
Property Insights of 2-Chloro-3-(dichloromethyl)but-2-enedioic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-(dichloromethyl)but-2-enedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-(dichloromethyl)but-2-enedioic acid. Following Lipinski's Rule of Five, 2-Chloro-3-(dichloromethyl)but-2-enedioic acid has 2 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 2-Chloro-3-(dichloromethyl)but-2-enedioic acid?
The CAS number of 2-Chloro-3-(dichloromethyl)but-2-enedioic acid is 122551-90-0.
What is the molecular formula of 2-Chloro-3-(dichloromethyl)but-2-enedioic acid?
The molecular formula of 2-Chloro-3-(dichloromethyl)but-2-enedioic acid is C5H3Cl3O4.
What is the molecular weight of 2-Chloro-3-(dichloromethyl)but-2-enedioic acid?
The molecular weight of 2-Chloro-3-(dichloromethyl)but-2-enedioic acid is 231.9097 g/mol.
Where can I buy 2-Chloro-3-(dichloromethyl)but-2-enedioic acid?
You can request a quote for 2-Chloro-3-(dichloromethyl)but-2-enedioic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-3-(dichloromethyl)but-2-enedioic acid?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-3-(dichloromethyl)but-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.