1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine
TL;DR: 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine (CAS 333756-41-5) 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.
(2-methoxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
Also Known As: 1-(2-methoxybenzoyl)-4-(methylsulfonyl)piperazine, BAS 03049972, BIM-0001684.P001, (2-methoxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone, AT-057/43314037
| Molecular Formula | C13H18N2O4S |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.09872 |
| Heavy Atoms | 20 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 333756-41-5 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C |
| InChIKey | NSDIVQFDQOECKJ-UHFFFAOYSA-N |
Product Overview
1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine (CAS 333756-41-5), with molecular formula C13H18N2O4S and molecular weight 298.10 g/mol. IUPAC: (2-methoxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone.
Chemical Property Profile of 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine
Property Insights of 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine
The XLogP value of -0.5 indicates that 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine. Following Lipinski's Rule of Five, 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine 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-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine?
The CAS number of 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine is 333756-41-5.
What is the molecular formula of 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine?
The molecular formula of 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine is C13H18N2O4S.
What is the molecular weight of 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine?
The molecular weight of 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine is 298.10 g/mol.
Where can I buy 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine?
You can request a quote for 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methoxybenzoyl)-4-(methylsulfonyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.