Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate (CAS 694465-77-5) is a chemical compound with molecular formula C16H24N2O5S and molecular weight 356.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
Also Known As: BAS 06731486, ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate, F1406-0005, ethyl 4-((2-methoxy-4,5-dimethylphenyl)sulfonyl)piperazine-1-carboxylate, ethyl 4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
| Molecular Formula | C16H24N2O5S |
|---|---|
| Molecular Weight | 356.14 g/mol |
| LogP | 1.77484 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.1406 |
| Heavy Atoms | 24 |
| Complexity | 709.4231 |
Chemical Identifiers
| CAS Number | 694465-77-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C)C)OC |
Product Overview
Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate (CAS 694465-77-5), with molecular formula C16H24N2O5S and molecular weight 356.14 g/mol. IUPAC: ethyl 4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate
The XLogP value of 1.77484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 5 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 Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate is 694465-77-5.
What is the molecular formula of Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate is C16H24N2O5S.
What is the molecular weight of Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate is 356.14 g/mol.
Where can I buy Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-methoxy-4,5-dimethylbenzenesulfonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.