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Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate
TL;DR: Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate (CAS 2758-80-7) is a chemical compound with molecular formula C21H26N2O6S2 and molecular weight 466.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,4-bis-(4-methylphenyl)sulfonylpiperazine-2-carboxylate
Also Known As: ethyl 1,4-ditosylpiperazine-2-carboxylate, J1.860.671B, AO-080/42479724, ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate, 1,4-ditosylpiperazine-2-carboxylic acid ethyl ester
| Molecular Formula | C21H26N2O6S2 |
|---|---|
| Molecular Weight | 466.12 g/mol |
| LogP | 1.93034 |
| Topological Polar Surface Area | 101.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.12323 |
| Heavy Atoms | 31 |
| Complexity | 1143.3611 |
Chemical Identifiers
| CAS Number | 2758-80-7 |
|---|---|
| SMILES | CCOC(=O)C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate (CAS 2758-80-7), with molecular formula C21H26N2O6S2 and molecular weight 466.12 g/mol. IUPAC: ethyl 1,4-bis-(4-methylphenyl)sulfonylpiperazine-2-carboxylate.
Chemical Property Profile of Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate
Property Insights of Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate
The XLogP value of 1.93034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate. The TPSA of 101.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate 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 Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate?
The CAS number of Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate is 2758-80-7.
What is the molecular formula of Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate?
The molecular formula of Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate is C21H26N2O6S2.
What is the molecular weight of Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate?
The molecular weight of Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate is 466.12 g/mol.
Where can I buy Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate?
You can request a quote for Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,4-bis[(4-methylphenyl)sulfonyl]-2-piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.