1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine
TL;DR: 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine (CAS 431986-71-9) is a chemical compound with molecular formula C12H16ClN3O4S and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-6-nitrophenyl)-4-ethylsulfonylpiperazine
Also Known As: 1-(2-chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine, 1-(2-chloro-6-nitrophenyl)-4-ethylsulfonylpiperazine, A2963/0124825, 1-(2-CHLORO-6-NITROPHENYL)-4-(ETHANESULFONYL)PIPERAZINE, Cambridge id 6787118
| Molecular Formula | C12H16ClN3O4S |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 1.7199 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.055 |
| Heavy Atoms | 21 |
| Complexity | 641.90265 |
Chemical Identifiers
| CAS Number | 431986-71-9 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)[N+](=O)[O-] |
Product Overview
1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine (CAS 431986-71-9), with molecular formula C12H16ClN3O4S and molecular weight 333.06 g/mol. IUPAC: 1-(2-chloro-6-nitrophenyl)-4-ethylsulfonylpiperazine.
Chemical Property Profile of 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine
Property Insights of 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine
The XLogP value of 1.7199 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine 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 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine?
The CAS number of 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine is 431986-71-9.
What is the molecular formula of 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine?
The molecular formula of 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine is C12H16ClN3O4S.
What is the molecular weight of 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine?
The molecular weight of 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine is 333.06 g/mol.
Where can I buy 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine?
You can request a quote for 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-6-nitrophenyl)-4-(ethylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.