2,5-dichloromuconic acid
TL;DR: 2,5-dichloromuconic acid (CAS 107348-36-7) is a chemical compound with molecular formula C6H4Cl2O4 and molecular weight 209.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichlorohexa-2,4-dienedioic acid
Also Known As: 2,5-dichloromuconic acid, 2,5-Dichlorohexa-2,4-dienedioic acid, 2,5-dichloro-hexa-2,4-dienedioic acid
| Molecular Formula | C6H4Cl2O4 |
|---|---|
| Molecular Weight | 209.95 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.94867 |
| Heavy Atoms | 12 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 107348-36-7 |
|---|---|
| SMILES | C(=C(C(=O)O)Cl)C=C(C(=O)O)Cl |
| InChIKey | HECLTTZJJYETPR-UHFFFAOYSA-N |
Product Overview
2,5-dichloromuconic acid (CAS 107348-36-7), with molecular formula C6H4Cl2O4 and molecular weight 209.95 g/mol. IUPAC: 2,5-dichlorohexa-2,4-dienedioic acid.
Chemical Property Profile of 2,5-dichloromuconic acid
Property Insights of 2,5-dichloromuconic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-dichloromuconic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-dichloromuconic acid. Following Lipinski's Rule of Five, 2,5-dichloromuconic 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 2,5-dichloromuconic acid?
The CAS number of 2,5-dichloromuconic acid is 107348-36-7.
What is the molecular formula of 2,5-dichloromuconic acid?
The molecular formula of 2,5-dichloromuconic acid is C6H4Cl2O4.
What is the molecular weight of 2,5-dichloromuconic acid?
The molecular weight of 2,5-dichloromuconic acid is 209.95 g/mol.
Where can I buy 2,5-dichloromuconic acid?
You can request a quote for 2,5-dichloromuconic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-dichloromuconic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dichloromuconic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.