TL;DR: Proline, 1-((5-bromo-2-thienyl)sulfonyl)- (CAS 1301738-60-2) is a chemical compound with molecular formula C9H10BrNO4S2 and molecular weight 338.92346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid
Also Known As: 1-[(5-Bromothien-2-yl)sulphonyl]pyrrolidine-2-carboxylic acid, 1-[(5-bromo-2-thienyl)sulfonyl]proline, ZERO/006064, proline, 1-[(5-bromo-2-thienyl)sulfonyl]-, 1-(5-Bromothiophene-2-sulfonyl)proline
| Molecular Formula | C9H10BrNO4S2 |
| Molecular Weight | 338.92346 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.92346 Da |
| Heavy Atoms | 17 |
| Complexity | 408.0 |
| SMILES | C1CC(N(C1)S(=O)(=O)C2=CC=C(S2)Br)C(=O)O |
| InChIKey | BPZROJBFWUPMAB-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Proline, 1-((5-bromo-2-thienyl)sulfonyl)-. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Proline, 1-((5-bromo-2-thienyl)sulfonyl)-. Following Lipinski's Rule of Five, Proline, 1-((5-bromo-2-thienyl)sulfonyl)- has 1 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 Proline, 1-((5-bromo-2-thienyl)sulfonyl)- is 1301738-60-2.
The molecular formula of Proline, 1-((5-bromo-2-thienyl)sulfonyl)- is C9H10BrNO4S2.
The molecular weight of Proline, 1-((5-bromo-2-thienyl)sulfonyl)- is 338.92346 g/mol.
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