![1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine structure](/static/products/4285/428504-91-0.webp)
1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
TL;DR: 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine (CAS 428504-91-0) is a chemical compound with molecular formula C18H21N3O4S and molecular weight 375.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3-methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
Also Known As: 1-[(3-methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine, 1-(3-methylbenzyl)-4-[(2-nitrophenyl)sulfonyl]piperazine, 1-[(3-methylphenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine, 1-[(3-METHYLPHENYL)METHYL]-4-(2-NITROBENZENESULFONYL)PIPERAZINE
| Molecular Formula | C18H21N3O4S |
|---|---|
| Molecular Weight | 375.13 g/mol |
| LogP | 2.40972 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.12527 |
| Heavy Atoms | 26 |
| Complexity | 906.15717 |
Chemical Identifiers
| CAS Number | 428504-91-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine (CAS 428504-91-0), with molecular formula C18H21N3O4S and molecular weight 375.13 g/mol. IUPAC: 1-[(3-methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine.
Chemical Property Profile of 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
Property Insights of 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine
The XLogP value of 2.40972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine. Following Lipinski's Rule of Five, 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine 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-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine?
The CAS number of 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine is 428504-91-0.
What is the molecular formula of 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine?
The molecular formula of 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine is C18H21N3O4S.
What is the molecular weight of 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine?
The molecular weight of 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine is 375.13 g/mol.
Where can I buy 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine?
You can request a quote for 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3-Methylphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.