1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine
TL;DR: 1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine (CAS 428850-80-0) is a chemical compound with molecular formula C14H21N3O4S and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-nitrophenyl)methyl]-4-propylsulfonylpiperazine
Also Known As: 1-(2-nitrobenzyl)-4-(propylsulfonyl)piperazine, 1-[(2-nitrophenyl)methyl]-4-propylsulfonylpiperazine, 1-[(2-nitrophenyl)methyl]-4-propylsulfonyl-piperazine, 4-[(2-nitrophenyl)methyl]-1-(propylsulfonyl)piperazine, 1-[(2-NITROPHENYL)METHYL]-4-(PROPANE-1-SULFONYL)PIPERAZINE
| Molecular Formula | C14H21N3O4S |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 1.4522 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.12527 |
| Heavy Atoms | 22 |
| Complexity | 624.73004 |
Chemical Identifiers
| CAS Number | 428850-80-0 |
|---|---|
| SMILES | CCCS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine (CAS 428850-80-0), with molecular formula C14H21N3O4S and molecular weight 327.13 g/mol. IUPAC: 1-[(2-nitrophenyl)methyl]-4-propylsulfonylpiperazine.
Chemical Property Profile of 1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine
Property Insights of 1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine
The XLogP value of 1.4522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(2-Nitrobenzyl)-4-(propylsulfonyl)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-Nitrobenzyl)-4-(propylsulfonyl)piperazine?
The CAS number of 1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine is 428850-80-0.
What is the molecular formula of 1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine?
The molecular formula of 1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine is C14H21N3O4S.
What is the molecular weight of 1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine?
The molecular weight of 1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine is 327.13 g/mol.
Where can I buy 1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine?
You can request a quote for 1-(2-Nitrobenzyl)-4-(propylsulfonyl)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-Nitrobenzyl)-4-(propylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Nitrobenzyl)-4-(propylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.