N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate
TL;DR: N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate (CAS 116712-81-3) is a chemical compound with molecular formula C27H39N3O9S2 and molecular weight 613.21277 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione;methanesulfonic acid
Also Known As: N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate, 2,5-Pyrrolidinedione, 1-(2-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)ethyl)-, dimethanesulfonate, 1-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione; methanesulfonic acid, Methanesulfonic acid--1-(2-{4-[2-(diphenylmethoxy)ethyl]piperazin-1-yl}ethyl)pyrrolidine-2,5-dione (2/1)
Technical Specifications
| Molecular Formula | C27H39N3O9S2 |
| Molecular Weight | 613.21277 g/mol |
| XLogP | 1.5672 |
| Topological Polar Surface Area (TPSA) | 179.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 613.21277 Da |
| Heavy Atoms | 41 |
| Complexity | 637.0 |
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CC(=O)N(C1=O)CCN2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | NXQDSYQDYLFAFK-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate
Property Insights of N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate
The XLogP value of 1.5672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate. The TPSA of 179.0 Ų indicates high polarity, suggesting N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate?
The CAS number of N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate is 116712-81-3.
What is the molecular formula of N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate?
The molecular formula of N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate is C27H39N3O9S2.
What is the molecular weight of N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate?
The molecular weight of N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate is 613.21277 g/mol.
Where can I buy N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate?
You can request a quote for N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate?
Yes, CoreyChem provides custom synthesis services for N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2,5-pyrrolidinedione dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.