![Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate structure](/static/products/3334/333440-30-5.webp)
Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate
TL;DR: Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate (CAS 333440-30-5) is a chemical compound with molecular formula C16H22ClN3O5S and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(2-chloro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
Also Known As: BAS 01923771, AB00140341-02, AO-081/13878255, ethyl 4-[2-(2-chloro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate, ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate
| Molecular Formula | C16H22ClN3O5S |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 1.4067 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.09686 |
| Heavy Atoms | 26 |
| Complexity | 762.9036 |
Chemical Identifiers
| CAS Number | 333440-30-5 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC=CC=C2Cl)S(=O)(=O)C |
Product Overview
Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate (CAS 333440-30-5), with molecular formula C16H22ClN3O5S and molecular weight 403.10 g/mol. IUPAC: ethyl 4-[2-(2-chloro-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate
Property Insights of Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate
The XLogP value of 1.4067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate 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-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate?
The CAS number of Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate is 333440-30-5.
What is the molecular formula of Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate?
The molecular formula of Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate is C16H22ClN3O5S.
What is the molecular weight of Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate?
The molecular weight of Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate is 403.10 g/mol.
Where can I buy Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate?
You can request a quote for Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[2-chloro(methylsulfonyl)anilino]acetyl}piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.