Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester
TL;DR: Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester (CAS 681852-57-3) is a chemical compound with molecular formula C15H22N2O5S and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-1-carboxylate
Also Known As: Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester, AP-263/42924783, ethyl 4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-1-carboxylate, A2939/0123754, ethyl 4-(2-methoxy-5-methylbenzenesulfonyl)piperazine-1-carboxylate
| Molecular Formula | C15H22N2O5S |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.12494 |
| Heavy Atoms | 23 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 681852-57-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)OC |
| InChIKey | GVFSWOJJOPJPFX-UHFFFAOYSA-N |
Product Overview
Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester (CAS 681852-57-3), with molecular formula C15H22N2O5S and molecular weight 342.12 g/mol. IUPAC: ethyl 4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester
Property Insights of Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester. Following Lipinski's Rule of Five, Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester has 0 hydrogen bond donor(s) and 6 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 Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester?
The CAS number of Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester is 681852-57-3.
What is the molecular formula of Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester?
The molecular formula of Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester is C15H22N2O5S.
What is the molecular weight of Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester?
The molecular weight of Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester is 342.12 g/mol.
Where can I buy Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester?
You can request a quote for Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Piperazine-1-carboxylic acid, 4-(2-methoxy-5-methylbenzenesulfonyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.