4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate
TL;DR: 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate (CAS 1185580-60-2) is a chemical compound with molecular formula C22H28N2O9S and molecular weight 496.15155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol;oxalic acid
Also Known As: 4-((4-(benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate, 4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-2,6-dimethoxyphenol; oxalic acid, IUPAC: 4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-2,6-dimethoxy-phenol; Oxalic Acid
Technical Specifications
| Molecular Formula | C22H28N2O9S |
| Molecular Weight | 496.15155 g/mol |
| XLogP | 1.2126 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.15155 Da |
| Heavy Atoms | 34 |
| Complexity | 625.0 |
| SMILES | COC1=CC(=CC(=C1O)OC)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O |
| InChIKey | QUDAZQAZNFDVKG-UHFFFAOYSA-N |
Chemical Property Profile of 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate
Property Insights of 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate
The XLogP value of 1.2126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate. The TPSA of 162.0 Ų indicates high polarity, suggesting 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate?
The CAS number of 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate is 1185580-60-2.
What is the molecular formula of 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate?
The molecular formula of 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate is C22H28N2O9S.
What is the molecular weight of 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate?
The molecular weight of 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate is 496.15155 g/mol.
Where can I buy 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate?
You can request a quote for 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate?
Yes, CoreyChem provides custom synthesis services for 4-((4-(Benzylsulfonyl)piperazin-1-yl)methyl)-2,6-dimethoxyphenol oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.