4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
TL;DR: 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester (CAS 756818-92-5) is a chemical compound with molecular formula C14H18N2O6S and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoic acid
Also Known As: 4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoic Acid, 4-{[4-(ethoxycarbonyl)piperazin-1-yl]sulfonyl}benzoic acid, AB00033927-01, 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester, 4-((4-(Ethoxycarbonyl)piperazin-1-yl)sulfonyl)benzoic acid
| Molecular Formula | C14H18N2O6S |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 0.8476 |
| Topological Polar Surface Area | 104.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.08856 |
| Heavy Atoms | 23 |
| Complexity | 677.724 |
Chemical Identifiers
| CAS Number | 756818-92-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O |
Product Overview
4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester (CAS 756818-92-5), with molecular formula C14H18N2O6S and molecular weight 342.09 g/mol. IUPAC: 4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoic acid.
Chemical Property Profile of 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
Property Insights of 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester
The XLogP value of 0.8476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester. The TPSA of 104.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester has 1 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 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester?
The CAS number of 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester is 756818-92-5.
What is the molecular formula of 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester?
The molecular formula of 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester is C14H18N2O6S.
What is the molecular weight of 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester?
The molecular weight of 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester is 342.09 g/mol.
Where can I buy 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester?
You can request a quote for 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Carboxy-benzenesulfonyl)-piperazine-1-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.