![Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate structure](/static/products/4782/478246-60-5.webp)
Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate
TL;DR: Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate (CAS 478246-60-5) is a chemical compound with molecular formula C21H25N3O6S and molecular weight 447.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-nitro-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzoate
Also Known As: methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate, methyl 3-nitro-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzoate, methyl 3-nitro-4-[4-(2,4,6-trimethylbenzenesulfonyl)piperazin-1-yl]benzoate, methyl3-nitro-4-[4-(2,4,6-trimethylbenzenesulfonyl)piperazin-1-yl]benzoate
| Molecular Formula | C21H25N3O6S |
|---|---|
| Molecular Weight | 447.15 g/mol |
| LogP | 2.81756 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.1464 |
| Heavy Atoms | 31 |
| Complexity | 1114.7943 |
Chemical Identifiers
| CAS Number | 478246-60-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-])C |
Product Overview
Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate (CAS 478246-60-5), with molecular formula C21H25N3O6S and molecular weight 447.15 g/mol. IUPAC: methyl 3-nitro-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzoate.
Chemical Property Profile of Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate
Property Insights of Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate
The XLogP value of 2.81756 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate has 0 hydrogen bond donor(s) and 7 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 Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate?
The CAS number of Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate is 478246-60-5.
What is the molecular formula of Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate?
The molecular formula of Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate is C21H25N3O6S.
What is the molecular weight of Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate?
The molecular weight of Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate is 447.15 g/mol.
Where can I buy Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate?
You can request a quote for Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[4-(mesitylsulfonyl)piperazino]-3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.