TL;DR: 1,4-Dioxa-9-thia-12-azadispiro[4.2.4.2]-tetradecane-11-carboxylic acid (CAS 1030253-98-5) is a chemical compound with molecular formula C11H17NO4S and molecular weight 259.08783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9,12-dioxa-4-thia-1-azadispiro[4.2.48.25]tetradecane-2-carboxylic acid
Also Known As: 1,4-Dioxa-9-thia-12-azadispiro[4.2.4.2]-tetradecane-11-carboxylic acid, 7712AC, dioxathiaazadispirotetradecanecarboxylicacid, 1,4-dioxa-9-thia-12-azadispiro[4.2.4.2]tetradecane-11-carboxylic acid, 9,12-dioxa-4-thia-1-azadispiro[4.2.48.25]tetradecane-2-carboxylic acid
| Molecular Formula | C11H17NO4S |
| Molecular Weight | 259.08783 g/mol |
| XLogP | -1.8 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 259.08783 Da |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
| SMILES | C1CC2(CCC13NC(CS3)C(=O)O)OCCO2 |
| InChIKey | JBVLAMYDJYTIBB-UHFFFAOYSA-N |
The XLogP value of -1.8 indicates that 1,4-Dioxa-9-thia-12-azadispiro[4.2.4.2]-tetradecane-11-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dioxa-9-thia-12-azadispiro[4.2.4.2]-tetradecane-11-carboxylic acid. Following Lipinski's Rule of Five, 1,4-Dioxa-9-thia-12-azadispiro[4.2.4.2]-tetradecane-11-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.
The CAS number of 1,4-Dioxa-9-thia-12-azadispiro[4.2.4.2]-tetradecane-11-carboxylic acid is 1030253-98-5.
The molecular formula of 1,4-Dioxa-9-thia-12-azadispiro[4.2.4.2]-tetradecane-11-carboxylic acid is C11H17NO4S.
The molecular weight of 1,4-Dioxa-9-thia-12-azadispiro[4.2.4.2]-tetradecane-11-carboxylic acid is 259.08783 g/mol.
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