TL;DR: 4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]benzoic acid (CAS 1469469-08-6) is a chemical compound with molecular formula C13H10N2O3S and molecular weight 274.0412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]benzoic acid
Also Known As: 4-[2-(2-thienylcarbonyl)carbohydrazonoyl]benzoic acid, J3.161.287J, (E)-4-((2-(thiophene-2-carbonyl)hydrazono)methyl)benzoic acid, 4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]benzoic acid, 4-[2-(2-Thienylcarbonyl)hydrazonomethyl]benzoic acid
| Molecular Formula | C13H10N2O3S |
| Molecular Weight | 274.0412 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.0412 Da |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
| SMILES | C1=CSC(=C1)C(=O)N/N=C/C2=CC=C(C=C2)C(=O)O |
| InChIKey | LJIWRKOXCXBRLS-RIYZIHGNSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]benzoic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]benzoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]benzoic acid is 1469469-08-6.
The molecular formula of 4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]benzoic acid is C13H10N2O3S.
The molecular weight of 4-[(E)-(thiophene-2-carbonylhydrazinylidene)methyl]benzoic acid is 274.0412 g/mol.
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