2-Chloromaleylacetate
TL;DR: 2-Chloromaleylacetate (CAS 22752-94-9) is a chemical compound with molecular formula C6H5ClO5 and molecular weight 191.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-chloro-4-oxohex-2-enedioic acid
Also Known As: 2-Chloromaleylacetate, (E)-2-Chloro-4-oxo-2-hexenedioic acid, 2-chloromaleylacetic acid, (E)-2-chloro-4-oxohex-2-enedioic acid, 2-Hexenedioic acid, 2-chloro-4-oxo-, (E)-
| Molecular Formula | C6H5ClO5 |
|---|---|
| Molecular Weight | 191.98 g/mol |
| LogP | 0.2375 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.98254 |
| Heavy Atoms | 12 |
| Complexity | 254.66406 |
Chemical Identifiers
| CAS Number | 22752-94-9 |
|---|---|
| SMILES | C(C(=O)/C=C(\C(=O)O)/Cl)C(=O)O |
Product Overview
2-Chloromaleylacetate (CAS 22752-94-9), with molecular formula C6H5ClO5 and molecular weight 191.98 g/mol. IUPAC: (E)-2-chloro-4-oxohex-2-enedioic acid.
Chemical Property Profile of 2-Chloromaleylacetate
Property Insights of 2-Chloromaleylacetate
The XLogP value of 0.2375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloromaleylacetate. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloromaleylacetate. Following Lipinski's Rule of Five, 2-Chloromaleylacetate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloromaleylacetate?
The CAS number of 2-Chloromaleylacetate is 22752-94-9.
What is the molecular formula of 2-Chloromaleylacetate?
The molecular formula of 2-Chloromaleylacetate is C6H5ClO5.
What is the molecular weight of 2-Chloromaleylacetate?
The molecular weight of 2-Chloromaleylacetate is 191.98 g/mol.
Where can I buy 2-Chloromaleylacetate?
You can request a quote for 2-Chloromaleylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloromaleylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloromaleylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.