Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate
TL;DR: Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate (CAS 873671-24-0) is a chemical compound with molecular formula C13H16ClN3O6S and molecular weight 377.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chloro-3-nitrophenyl)sulfonylpiperazine-1-carboxylate
Also Known As: ETHYL 4-((4-CHLORO-3-NITROPHENYL)SULFONYL)PIPERAZINECARBOXYLATE, ethyl 4-(4-chloro-3-nitrobenzenesulfonyl)piperazine-1-carboxylate, ethyl 4-(4-chloro-3-nitrophenyl)sulfonylpiperazine-1-carboxylate, ethyl 4-[(4-chloro-3-nitrophenyl)sulfonyl]piperazinecarboxylate, Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazine-1-carboxylate
| Molecular Formula | C13H16ClN3O6S |
|---|---|
| Molecular Weight | 377.04 g/mol |
| LogP | 1.711 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.04483 |
| Heavy Atoms | 24 |
| Complexity | 746.074 |
Chemical Identifiers
| CAS Number | 873671-24-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate (CAS 873671-24-0), with molecular formula C13H16ClN3O6S and molecular weight 377.04 g/mol. IUPAC: ethyl 4-(4-chloro-3-nitrophenyl)sulfonylpiperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate
Property Insights of Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate
The XLogP value of 1.711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate has 0 hydrogen bond donor(s) and 6 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-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate?
The CAS number of Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate is 873671-24-0.
What is the molecular formula of Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate?
The molecular formula of Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate is C13H16ClN3O6S.
What is the molecular weight of Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate?
The molecular weight of Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate is 377.04 g/mol.
Where can I buy Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate?
You can request a quote for Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)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-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((4-chloro-3-nitrophenyl)sulfonyl)piperazinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.