![Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate structure](/static/products/604/604762-05-2.png)
Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate
TL;DR: Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate (CAS 604762-05-2) is a chemical compound with molecular formula C20H30N2O4S and molecular weight 394.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate
Also Known As: Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate, Ethyl 4-{[4-(4-methylcyclohexyl)-1-piperazinyl]sulfonyl}benzoate, Benzoic acid, 4-[[4-(4-methylcyclohexyl)-1-piperazinyl]sulfonyl]-, ethyl ester (9CI)
| Molecular Formula | C20H30N2O4S |
|---|---|
| Molecular Weight | 394.19 g/mol |
| LogP | 2.7483 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.19263 |
| Heavy Atoms | 27 |
| Complexity | 731.7501 |
Chemical Identifiers
| CAS Number | 604762-05-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3CCC(CC3)C |
Product Overview
Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate (CAS 604762-05-2), with molecular formula C20H30N2O4S and molecular weight 394.19 g/mol. IUPAC: ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate.
Chemical Property Profile of Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate
Property Insights of Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate
The XLogP value of 2.7483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate. Following Lipinski's Rule of Five, Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate 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-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate?
The CAS number of Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate is 604762-05-2.
What is the molecular formula of Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate?
The molecular formula of Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate is C20H30N2O4S.
What is the molecular weight of Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate?
The molecular weight of Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate is 394.19 g/mol.
Where can I buy Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate?
You can request a quote for Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[4-(4-methylcyclohexyl)piperazin-1-yl]sulfonylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.