3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione
TL;DR: 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione (CAS 170660-63-6) is a chemical compound with molecular formula C5H2Cl3NO2 and molecular weight 212.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-(dichloromethylidene)pyrrolidine-2,5-dione
Also Known As: 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione, 3-chloro-4-(dichloromethylidene)pyrrolidine-2,5-dione, 3-Chloro-4-(dichloromethylidene)-5-hydroxy-3,4-dihydro-2H-pyrrol-2-one, RefChem:93417
| Molecular Formula | C5H2Cl3NO2 |
|---|---|
| Molecular Weight | 212.92 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.91512 |
| Heavy Atoms | 11 |
| Complexity | 256.0 |
| Melting Point | 153 - 154.5 °C |
Chemical Identifiers
| CAS Number | 170660-63-6 |
|---|---|
| SMILES | C1(C(=C(Cl)Cl)C(=O)NC1=O)Cl |
| InChIKey | GUWJHDWPNSUUCW-UHFFFAOYSA-N |
Product Overview
3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione (CAS 170660-63-6), with molecular formula C5H2Cl3NO2 and molecular weight 212.92 g/mol. IUPAC: 3-chloro-4-(dichloromethylidene)pyrrolidine-2,5-dione.
Chemical Property Profile of 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione
Property Insights of 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione. With a topological polar surface area (TPSA) of 46.2 Ų, 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione has 1 hydrogen bond donor(s) and 2 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 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione?
The CAS number of 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione is 170660-63-6.
What is the molecular formula of 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione?
The molecular formula of 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione is C5H2Cl3NO2.
What is the molecular weight of 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione?
The molecular weight of 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione is 212.92 g/mol.
Where can I buy 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione?
You can request a quote for 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-(dichloromethylene)-2,5-pyrrolidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.