![1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine structure](/static/products/4288/428827-86-5.webp)
1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine
TL;DR: 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine (CAS 428827-86-5) is a chemical compound with molecular formula C18H21N3O5S and molecular weight 391.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
Also Known As: 1-(3-methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine, 1-[(3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine, 1-[(3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine
| Molecular Formula | C18H21N3O5S |
|---|---|
| Molecular Weight | 391.12 g/mol |
| LogP | 2.1099 |
| Topological Polar Surface Area | 92.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.12018 |
| Heavy Atoms | 27 |
| Complexity | 924.09924 |
Chemical Identifiers
| CAS Number | 428827-86-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine (CAS 428827-86-5), with molecular formula C18H21N3O5S and molecular weight 391.12 g/mol. IUPAC: 1-[(3-methoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine.
Chemical Property Profile of 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine
Property Insights of 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine
The XLogP value of 2.1099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine. The TPSA of 92.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine. Following Lipinski's Rule of Five, 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine 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 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine?
The CAS number of 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine is 428827-86-5.
What is the molecular formula of 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine?
The molecular formula of 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine is C18H21N3O5S.
What is the molecular weight of 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine?
The molecular weight of 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine is 391.12 g/mol.
Where can I buy 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine?
You can request a quote for 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methoxybenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.