TL;DR: Phenyl[(thien-2-ylcarbonyl)amino]acetic acid (CAS 1008670-87-8) is a chemical compound with molecular formula C13H11NO3S and molecular weight 261.04596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenyl-2-(thiophene-2-carbonylamino)acetic acid
Also Known As: phenyl[(thien-2-ylcarbonyl)amino]acetic acid, 2-phenyl-2-(thiophen-2-ylformamido)acetic acid, 2-phenyl-2-(thiophene-2-carbonylamino)acetic Acid, 2-phenyl-2-(2-thienylcarbonylamino)acetic acid, 2-phenyl-2-(thiophen-2-ylformamido)aceticacid
| Molecular Formula | C13H11NO3S |
| Molecular Weight | 261.04596 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.04596 Da |
| Heavy Atoms | 18 |
| Complexity | 315.0 |
| SMILES | C1=CC=C(C=C1)C(C(=O)O)NC(=O)C2=CC=CS2 |
| InChIKey | JQDFNCZLEHZUNZ-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl[(thien-2-ylcarbonyl)amino]acetic acid. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl[(thien-2-ylcarbonyl)amino]acetic acid. Following Lipinski's Rule of Five, Phenyl[(thien-2-ylcarbonyl)amino]acetic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phenyl[(thien-2-ylcarbonyl)amino]acetic acid is 1008670-87-8.
The molecular formula of Phenyl[(thien-2-ylcarbonyl)amino]acetic acid is C13H11NO3S.
The molecular weight of Phenyl[(thien-2-ylcarbonyl)amino]acetic acid is 261.04596 g/mol.
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