Chlorendic Acid
TL;DR: Chlorendic Acid (CAS 115-28-6) is a chemical compound with molecular formula C9H4Cl6O4 and molecular weight 385.82407 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
氯桥酸
1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Also Known As: CHLORENDIC ACID, HET acid, Kyselina het, Prillic acid, Chloredic acid
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H4Cl6O4 |
| Molecular Weight | 385.82407 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 387.82114 Da |
| Heavy Atoms | 19 |
| Complexity | 487.0 |
| Melting Point | 406 to 410 °F (NTP, 1992) |
| Density | 0.95 (NTP, 1992) - Less dense than water; will float |
| Vapor Pressure | 0.00000003 [mmHg] |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| SMILES | C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O |
| InChIKey | DJKGDNKYTKCJKD-UHFFFAOYSA-N |
Chemical Property Profile of Chlorendic Acid
Property Insights of Chlorendic Acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorendic Acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Chlorendic Acid. Following Lipinski's Rule of Five, Chlorendic 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 Chlorendic Acid?
The CAS number of Chlorendic Acid is 115-28-6.
What is the molecular formula of Chlorendic Acid?
The molecular formula of Chlorendic Acid is C9H4Cl6O4.
What is the molecular weight of Chlorendic Acid?
The molecular weight of Chlorendic Acid is 385.82407 g/mol.
Where can I buy Chlorendic Acid?
You can request a quote for Chlorendic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chlorendic Acid?
Yes, CoreyChem provides custom synthesis services for Chlorendic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.