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Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate
TL;DR: Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate (CAS 333787-81-8) is a chemical compound with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methylpiperazin-1-yl)sulfonylbenzoate
Also Known As: Methyl 4-(4-methylpiperazin-1-yl)sulfonylbenzoate, Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate
| Molecular Formula | C13H18N2O4S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 0.4093 |
| Topological Polar Surface Area | 66.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.09872 |
| Heavy Atoms | 20 |
| Complexity | 574.8937 |
Chemical Identifiers
| CAS Number | 333787-81-8 |
|---|---|
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate (CAS 333787-81-8), with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol. IUPAC: methyl 4-(4-methylpiperazin-1-yl)sulfonylbenzoate.
Chemical Property Profile of Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate
Property Insights of Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate
The XLogP value of 0.4093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate. The TPSA of 66.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate 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 Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate?
The CAS number of Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate is 333787-81-8.
What is the molecular formula of Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate?
The molecular formula of Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate is C13H18N2O4S.
What is the molecular weight of Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate?
The molecular weight of Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate is 298.10 g/mol.
Where can I buy Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate?
You can request a quote for Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate 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-methyl-1-piperazinyl)sulfonyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(4-methyl-1-piperazinyl)sulfonyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.