![1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine structure](/static/products/4285/428503-17-7.webp)
1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine
TL;DR: 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine (CAS 428503-17-7) is a chemical compound with molecular formula C13H19N3O4S and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine
Also Known As: 1-(ethylsulfonyl)-4-(3-nitrobenzyl)piperazine, 1-ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine, 1-(ethylsulfonyl)-4-[(3-nitrophenyl)methyl]piperazine
| Molecular Formula | C13H19N3O4S |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 1.0621 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.10962 |
| Heavy Atoms | 21 |
| Complexity | 609.5973 |
Chemical Identifiers
| CAS Number | 428503-17-7 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)CC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine (CAS 428503-17-7), with molecular formula C13H19N3O4S and molecular weight 313.11 g/mol. IUPAC: 1-ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine.
Chemical Property Profile of 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine
Property Insights of 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine
The XLogP value of 1.0621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine. Following Lipinski's Rule of Five, 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]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-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine?
The CAS number of 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine is 428503-17-7.
What is the molecular formula of 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine?
The molecular formula of 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine is C13H19N3O4S.
What is the molecular weight of 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine?
The molecular weight of 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine is 313.11 g/mol.
Where can I buy 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine?
You can request a quote for 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.