2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
TL;DR: 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine (CAS 1145-44-4) is a chemical compound with molecular formula C7H4Cl7N3 and molecular weight 374.82248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
Also Known As: 2-(2-chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine, J1.558.911F, C(Cl)(Cl)(Cl)c1nc(CCCl)nc(n1)C(Cl)(Cl)Cl
Technical Specifications
| Molecular Formula | C7H4Cl7N3 |
| Molecular Weight | 374.82248 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.81955 Da |
| Heavy Atoms | 17 |
| Complexity | 229.0 |
| SMILES | C(CCl)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | ZMPHZEWCSNSYJA-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
Property Insights of 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
The XLogP value of 4.2 indicates that 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine has 0 hydrogen bond donor(s) and 3 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-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The CAS number of 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is 1145-44-4.
What is the molecular formula of 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The molecular formula of 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is C7H4Cl7N3.
What is the molecular weight of 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
The molecular weight of 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine is 374.82248 g/mol.
Where can I buy 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
You can request a quote for 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine?
Yes, CoreyChem provides custom synthesis services for 2-(2-Chloroethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.