6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one
TL;DR: 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one (CAS 116574-50-6) is a chemical compound with molecular formula C12H15N3O4S and molecular weight 297.07834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-methylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
Also Known As: 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one, 6-((4-methylpiperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, 6-(4-methylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one, 6-[(4-methylpiperazin-1-yl)sulfonyl]-1,3-benzoxazol-2(3H)-one
Technical Specifications
| Molecular Formula | C12H15N3O4S |
| Molecular Weight | 297.07834 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.07834 Da |
| Heavy Atoms | 20 |
| Complexity | 481.0 |
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3 |
| InChIKey | ZCLPCUCAUCBJCU-UHFFFAOYSA-N |
Chemical Property Profile of 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one
Property Insights of 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one. Following Lipinski's Rule of Five, 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one?
The CAS number of 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one is 116574-50-6.
What is the molecular formula of 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one?
The molecular formula of 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one is C12H15N3O4S.
What is the molecular weight of 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one?
The molecular weight of 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one is 297.07834 g/mol.
Where can I buy 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one?
You can request a quote for 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one?
Yes, CoreyChem provides custom synthesis services for 6-(4-Methyl-piperazine-1-sulfonyl)-3H-benzooxazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.