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Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate
TL;DR: Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate (CAS 478246-58-1) is a chemical compound with molecular formula C22H21N3O6S and molecular weight 455.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitrobenzoate
Also Known As: methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate, methyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitrobenzoate, methyl 4-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]-3-nitrobenzoate, methyl4-[4-(naphthalene-2-sulfonyl)piperazin-1-yl]-3-nitrobenzoate
| Molecular Formula | C22H21N3O6S |
|---|---|
| Molecular Weight | 455.12 g/mol |
| LogP | 3.0455 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.1151 |
| Heavy Atoms | 32 |
| Complexity | 1300.0189 |
Chemical Identifiers
| CAS Number | 478246-58-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-] |
Product Overview
Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate (CAS 478246-58-1), with molecular formula C22H21N3O6S and molecular weight 455.12 g/mol. IUPAC: methyl 4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-3-nitrobenzoate.
Chemical Property Profile of Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate
Property Insights of Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate
The XLogP value of 3.0455 indicates that Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-[4-(2-naphthylsulfonyl)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-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate?
The CAS number of Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate is 478246-58-1.
What is the molecular formula of Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate?
The molecular formula of Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate is C22H21N3O6S.
What is the molecular weight of Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate?
The molecular weight of Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate is 455.12 g/mol.
Where can I buy Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate?
You can request a quote for Methyl 4-[4-(2-naphthylsulfonyl)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-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[4-(2-naphthylsulfonyl)piperazino]-3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.