![ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate structure](/static/products/4284/428496-77-9.webp)
ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate
TL;DR: ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate (CAS 428496-77-9) is a chemical compound with molecular formula C22H27N3O5S and molecular weight 445.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate
Also Known As: BAS 03059549, ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate, ethyl 4-(4-((N-phenylmethylsulfonamido)methyl)benzoyl)piperazine-1-carboxylate, ethyl 4-(4-{[(methylsulfonyl)anilino]methyl}benzoyl)-1-piperazinecarboxylate, ethyl 4-[(4-{[(methylsulfonyl)(phenyl)amino]methyl}phenyl)carbonyl]piperazine-1-carboxylate
| Molecular Formula | C22H27N3O5S |
|---|---|
| Molecular Weight | 445.17 g/mol |
| LogP | 2.5671 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.16714 |
| Heavy Atoms | 31 |
| Complexity | 1001.2017 |
Chemical Identifiers
| CAS Number | 428496-77-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CN(C3=CC=CC=C3)S(=O)(=O)C |
Product Overview
ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate (CAS 428496-77-9), with molecular formula C22H27N3O5S and molecular weight 445.17 g/mol. IUPAC: ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate
Property Insights of ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate
The XLogP value of 2.5671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]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-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate?
The CAS number of ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate is 428496-77-9.
What is the molecular formula of ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate?
The molecular formula of ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate is C22H27N3O5S.
What is the molecular weight of ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate?
The molecular weight of ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate is 445.17 g/mol.
Where can I buy ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate?
You can request a quote for ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]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-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.