![Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate structure](/static/products/888/888191-90-0.png)
Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate
TL;DR: Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate (CAS 888191-90-0) is a chemical compound with molecular formula C20H23N3O5S and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(benzenesulfonyl)piperazine-1-carbonyl]amino]benzoate
Also Known As: Ethyl 4-[[4-(benzenesulfonyl)piperazine-1-carbonyl]amino]benzoate, ethyl 4-(4-(phenylsulfonyl)piperazine-1-carboxamido)benzoate, ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate, ethyl 4-({[4-(phenylsulfonyl)piperazin-1-yl]carbonyl}amino)benzoate, ETHYL 4-({[4-(PHENYLSULFONYL)PIPERAZINO]CARBONYL}AMINO)BENZOATE
| Molecular Formula | C20H23N3O5S |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 2.4017 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.13583 |
| Heavy Atoms | 29 |
| Complexity | 953.37103 |
Chemical Identifiers
| CAS Number | 888191-90-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate (CAS 888191-90-0), with molecular formula C20H23N3O5S and molecular weight 417.14 g/mol. IUPAC: ethyl 4-[[4-(benzenesulfonyl)piperazine-1-carbonyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate
Property Insights of Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate
The XLogP value of 2.4017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate 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 Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate?
The CAS number of Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate is 888191-90-0.
What is the molecular formula of Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate?
The molecular formula of Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate is C20H23N3O5S.
What is the molecular weight of Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate?
The molecular weight of Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate is 417.14 g/mol.
Where can I buy Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate?
You can request a quote for Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate 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-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[4-(phenylsulfonyl)piperazinyl]carbonylamino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.