TL;DR: 3-(4-Methyl-thiazol-2-ylcarbamoyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005263-26-2) is a chemical compound with molecular formula C12H12N2O4S and molecular weight 280.0518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-(4-Methyl-thiazol-2-ylcarbamoyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, BAS 07201282, 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(4-methyl-thiazol-2-ylcarbamoyl)-7-oxa-bicyclo[, BRD-A06217505-001-07-6
| Molecular Formula | C12H12N2O4S |
| Molecular Weight | 280.0518 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0518 Da |
| Heavy Atoms | 19 |
| Complexity | 441.0 |
| SMILES | CC1=CSC(=N1)NC(=O)C2C3C=CC(C2C(=O)O)O3 |
| InChIKey | WJRPHTSFHUPAIQ-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methyl-thiazol-2-ylcarbamoyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methyl-thiazol-2-ylcarbamoyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(4-Methyl-thiazol-2-ylcarbamoyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-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.
The CAS number of 3-(4-Methyl-thiazol-2-ylcarbamoyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 1005263-26-2.
The molecular formula of 3-(4-Methyl-thiazol-2-ylcarbamoyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C12H12N2O4S.
The molecular weight of 3-(4-Methyl-thiazol-2-ylcarbamoyl)-7-oxa-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 280.0518 g/mol.
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