1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine
TL;DR: 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine (CAS 457960-67-7) 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-methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine
Also Known As: BAS 02106523, 1-methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine, 1-(2-Isopropyl-5-nitro-benzenesulfonyl)-4-methyl-piperazine, 1-({5-nitro-2-isopropylphenyl}sulfonyl)-4-methylpiperazine, 1-(methylethyl)-2-[(4-methylpiperazinyl)sulfonyl]-4-nitrobenzene
| Molecular Formula | C14H21N3O4S |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 1.6543 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.12527 |
| Heavy Atoms | 22 |
| Complexity | 664.6656 |
Chemical Identifiers
| CAS Number | 457960-67-7 |
|---|---|
| SMILES | CC(C)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C |
Product Overview
1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine (CAS 457960-67-7), with molecular formula C14H21N3O4S and molecular weight 327.13 g/mol. IUPAC: 1-methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine.
Chemical Property Profile of 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine
Property Insights of 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine
The XLogP value of 1.6543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine. Following Lipinski's Rule of Five, 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)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-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine?
The CAS number of 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine is 457960-67-7.
What is the molecular formula of 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine?
The molecular formula of 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine is C14H21N3O4S.
What is the molecular weight of 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine?
The molecular weight of 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine is 327.13 g/mol.
Where can I buy 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine?
You can request a quote for 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(5-nitro-2-propan-2-ylphenyl)sulfonylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.