2,2-Dichlorocyclopentene-1,3-dione
TL;DR: 2,2-Dichlorocyclopentene-1,3-dione (CAS 101328-98-7) is a chemical compound with molecular formula C5H2Cl2O2 and molecular weight 163.94319 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dichlorocyclopent-4-ene-1,3-dione
Also Known As: 2,2-Dichlorocyclopentene-1,3-dione, 2,2-dichlorocyclopent-4-ene-1,3-dione, 1,3,5-Benzenetriol, 2,4-dichloro-, 2,2-dichloro-4-cyclopentene-1,3-dione, 4-Cyclopentene-1,3-dione, 2,2-dichloro-
Technical Specifications
| Molecular Formula | C5H2Cl2O2 |
| Molecular Weight | 163.94319 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.94319 Da |
| Heavy Atoms | 9 |
| Complexity | 185.0 |
| SMILES | C1=CC(=O)C(C1=O)(Cl)Cl |
| InChIKey | XMXSINGGJBVDNH-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dichlorocyclopentene-1,3-dione
Property Insights of 2,2-Dichlorocyclopentene-1,3-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichlorocyclopentene-1,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 2,2-Dichlorocyclopentene-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichlorocyclopentene-1,3-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2-Dichlorocyclopentene-1,3-dione?
The CAS number of 2,2-Dichlorocyclopentene-1,3-dione is 101328-98-7.
What is the molecular formula of 2,2-Dichlorocyclopentene-1,3-dione?
The molecular formula of 2,2-Dichlorocyclopentene-1,3-dione is C5H2Cl2O2.
What is the molecular weight of 2,2-Dichlorocyclopentene-1,3-dione?
The molecular weight of 2,2-Dichlorocyclopentene-1,3-dione is 163.94319 g/mol.
Where can I buy 2,2-Dichlorocyclopentene-1,3-dione?
You can request a quote for 2,2-Dichlorocyclopentene-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dichlorocyclopentene-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 2,2-Dichlorocyclopentene-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.