5-Chloromaleylacetic acid
TL;DR: 5-Chloromaleylacetic acid (CAS 114435-26-6) is a chemical compound with molecular formula C6H5ClO5 and molecular weight 191.98254 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-5-chloro-4-oxohex-2-enedioic acid
Also Known As: 5-Clmaa, 5-Chloromaleylacetic acid, (Z)-5-Chloro-4-oxo-2-hexenedioic acid, (Z)-5-chloro-4-oxohex-2-enedioic acid, 2-Hexenedioic acid,5-chloro-4-oxo-, (Z)-
Technical Specifications
| Molecular Formula | C6H5ClO5 |
| Molecular Weight | 191.98254 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.98254 Da |
| Heavy Atoms | 12 |
| Complexity | 244.0 |
| SMILES | C(=C\C(=O)O)\C(=O)C(C(=O)O)Cl |
| InChIKey | SCSZJXOTAAUHEL-UPHRSURJSA-N |
Chemical Property Profile of 5-Chloromaleylacetic acid
Property Insights of 5-Chloromaleylacetic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloromaleylacetic acid. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloromaleylacetic acid. Following Lipinski's Rule of Five, 5-Chloromaleylacetic 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 5-Chloromaleylacetic acid?
The CAS number of 5-Chloromaleylacetic acid is 114435-26-6.
What is the molecular formula of 5-Chloromaleylacetic acid?
The molecular formula of 5-Chloromaleylacetic acid is C6H5ClO5.
What is the molecular weight of 5-Chloromaleylacetic acid?
The molecular weight of 5-Chloromaleylacetic acid is 191.98254 g/mol.
Where can I buy 5-Chloromaleylacetic acid?
You can request a quote for 5-Chloromaleylacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloromaleylacetic acid?
Yes, CoreyChem provides custom synthesis services for 5-Chloromaleylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.