Sulfonate
TL;DR: Sulfonate (CAS 116685-95-1) is a chemical compound with molecular formula C30H41N3O9S2 and molecular weight 651.2284 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]-2-hydroxybenzamide;methanesulfonic acid
Also Known As: Sulfonate, (R)-2-(Dimethylaminomethyl)pyrrolidine2HCl, N-(2-(4-Benzhydryloxyethyl-1-piperazinyl)ethyl)-2-hydroxybenzamide dimethane sulfonate, Benzamide, N-(2-(4-(2-(diphenylmethoxy)ethyl)-1-piperazinyl)ethyl)-2-hydroxy-, dimethanesulfonate (salt), N-[2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]ethyl]-2-hydroxybenzamide,methanesulfonic acid
Technical Specifications
| Molecular Formula | C30H41N3O9S2 |
| Molecular Weight | 651.2284 g/mol |
| XLogP | 2.5538 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 651.2284 Da |
| Heavy Atoms | 44 |
| Complexity | 658.0 |
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCNC(=O)C2=CC=CC=C2O)CCOC(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | CKYJOHWQCOCVSX-UHFFFAOYSA-N |
Chemical Property Profile of Sulfonate
Property Insights of Sulfonate
The XLogP value of 2.5538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfonate. The TPSA of 191.0 Ų indicates high polarity, suggesting Sulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfonate has 4 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 Sulfonate?
The CAS number of Sulfonate is 116685-95-1.
What is the molecular formula of Sulfonate?
The molecular formula of Sulfonate is C30H41N3O9S2.
What is the molecular weight of Sulfonate?
The molecular weight of Sulfonate is 651.2284 g/mol.
Where can I buy Sulfonate?
You can request a quote for Sulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sulfonate?
Yes, CoreyChem provides custom synthesis services for Sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.