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Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate
TL;DR: Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate (CAS 366830-17-3) is a chemical compound with molecular formula C21H24N4O7S and molecular weight 476.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[N-(benzenesulfonyl)-3-nitroanilino]acetyl]piperazine-1-carboxylate
Also Known As: BAS 02812599, ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate, ethyl 4-(2-(N-(3-nitrophenyl)phenylsulfonamido)acetyl)piperazine-1-carboxylate, ethyl 4-[2-[N-(benzenesulfonyl)-3-nitroanilino]acetyl]piperazine-1-carboxylate, Cambridge id 6421288
| Molecular Formula | C21H24N4O7S |
|---|---|
| Molecular Weight | 476.14 g/mol |
| LogP | 2.0908 |
| Topological Polar Surface Area | 130.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.13657 |
| Heavy Atoms | 33 |
| Complexity | 1116.4429 |
Chemical Identifiers
| CAS Number | 366830-17-3 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3 |
Product Overview
Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate (CAS 366830-17-3), with molecular formula C21H24N4O7S and molecular weight 476.14 g/mol. IUPAC: ethyl 4-[2-[N-(benzenesulfonyl)-3-nitroanilino]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate
Property Insights of Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate
The XLogP value of 2.0908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate. The TPSA of 130.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate has 0 hydrogen bond donor(s) and 7 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-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate?
The CAS number of Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate is 366830-17-3.
What is the molecular formula of Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate?
The molecular formula of Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate is C21H24N4O7S.
What is the molecular weight of Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate?
The molecular weight of Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate is 476.14 g/mol.
Where can I buy Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate?
You can request a quote for Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[3-nitro(phenylsulfonyl)anilino]acetyl}-1-piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.