6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
TL;DR: 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 1022486-21-0) is a chemical compound with molecular formula C12H13NO6S and molecular weight 299.04636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-ethylsulfonyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid
Also Known As: 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid, 6-ethylsulfonyl-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxylic acid, 7X-0241, 6-(Ethylsulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylic acid, 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylicacid
Technical Specifications
| Molecular Formula | C12H13NO6S |
| Molecular Weight | 299.04636 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.04636 Da |
| Heavy Atoms | 20 |
| Complexity | 525.0 |
| SMILES | CCS(=O)(=O)C1=CC2=C(C=C1)OC(C(=O)N2)(C)C(=O)O |
| InChIKey | MSIDDOCGWSBVLJ-UHFFFAOYSA-N |
Chemical Property Profile of 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
Property Insights of 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid. Following Lipinski's Rule of Five, 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid has 2 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-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The CAS number of 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 1022486-21-0.
What is the molecular formula of 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular formula of 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is C12H13NO6S.
What is the molecular weight of 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
The molecular weight of 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid is 299.04636 g/mol.
Where can I buy 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
You can request a quote for 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 6-(ethanesulfonyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.