2-Chloro-2,4-hexadienedioic acid
TL;DR: 2-Chloro-2,4-hexadienedioic acid (CAS 76572-57-1) is a chemical compound with molecular formula C6H5ClO4 and molecular weight 175.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorohexa-2,4-dienedioic acid
Also Known As: 2-Chloromuconic acid, 2-chloromuconate, Chloromuconic acid, chlorohexadienedioic acid, Sphingosyl beta-glucoside
| Molecular Formula | C6H5ClO4 |
|---|---|
| Molecular Weight | 175.99 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.98764 |
| Heavy Atoms | 11 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 76572-57-1 |
|---|---|
| SMILES | C(=CC(=O)O)C=C(C(=O)O)Cl |
| InChIKey | OZNNVVBQWHRHHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-2,4-hexadienedioic acid (CAS 76572-57-1), with molecular formula C6H5ClO4 and molecular weight 175.99 g/mol. IUPAC: 2-chlorohexa-2,4-dienedioic acid.
Chemical Property Profile of 2-Chloro-2,4-hexadienedioic acid
Property Insights of 2-Chloro-2,4-hexadienedioic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-2,4-hexadienedioic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-2,4-hexadienedioic acid. Following Lipinski's Rule of Five, 2-Chloro-2,4-hexadienedioic 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
Frequently Asked Questions
What is the CAS number of 2-Chloro-2,4-hexadienedioic acid?
The CAS number of 2-Chloro-2,4-hexadienedioic acid is 76572-57-1.
What is the molecular formula of 2-Chloro-2,4-hexadienedioic acid?
The molecular formula of 2-Chloro-2,4-hexadienedioic acid is C6H5ClO4.
What is the molecular weight of 2-Chloro-2,4-hexadienedioic acid?
The molecular weight of 2-Chloro-2,4-hexadienedioic acid is 175.99 g/mol.
Where can I buy 2-Chloro-2,4-hexadienedioic acid?
You can request a quote for 2-Chloro-2,4-hexadienedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-2,4-hexadienedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-2,4-hexadienedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.