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Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate
TL;DR: Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate (CAS 220110-87-2) is a chemical compound with molecular formula C19H21N3O6S and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzoate
Also Known As: methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate, J1.011.556F, methyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzoate, methyl 4-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]-3-nitrobenzoate, 3-Nitro-4-(4-tosylpiperazino)benzoic acid methyl ester
| Molecular Formula | C19H21N3O6S |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 2.20072 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.1151 |
| Heavy Atoms | 29 |
| Complexity | 1028.41 |
Chemical Identifiers
| CAS Number | 220110-87-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate (CAS 220110-87-2), with molecular formula C19H21N3O6S and molecular weight 419.12 g/mol. IUPAC: methyl 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzoate.
Chemical Property Profile of Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate
Property Insights of Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate
The XLogP value of 2.20072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, Methyl 4-{4-[(4-methylphenyl)sulfonyl]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-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate?
The CAS number of Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate is 220110-87-2.
What is the molecular formula of Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate?
The molecular formula of Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate is C19H21N3O6S.
What is the molecular weight of Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate?
The molecular weight of Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate is 419.12 g/mol.
Where can I buy Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate?
You can request a quote for Methyl 4-{4-[(4-methylphenyl)sulfonyl]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-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{4-[(4-methylphenyl)sulfonyl]piperazino}-3-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.