TL;DR: [[(3,4-Dimethylphenyl)-phenylmethylidene]amino] thiophene-2-carboxylate (CAS 1025576-93-5) is a chemical compound with molecular formula C20H17NO2S and molecular weight 335.098 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(3,4-dimethylphenyl)-phenylmethylidene]amino] thiophene-2-carboxylate
Also Known As: 1-Aza-2-(3,4-dimethylphenyl)-2-phenylvinyl thiophene-2-carboxylate, [[(3,4-dimethylphenyl)-phenyl-methylene]amino] thiophene-2-carboxylate, [[(3,4-dimethylphenyl)-phenyl-methylidene]amino] Thiophene-2-carboxylate, [[(3,4-dimethylphenyl)-phenylmethylidene]amino] thiophene-2-carboxylate, 2-[({[(Z)-(3,4-dimethylphenyl)(phenyl)methylidene]amino}oxy)carbonyl]thiophene
| Molecular Formula | C20H17NO2S |
| Molecular Weight | 335.098 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.098 Da |
| Heavy Atoms | 24 |
| Complexity | 459.0 |
| SMILES | CC1=C(C=C(C=C1)C(=NOC(=O)C2=CC=CS2)C3=CC=CC=C3)C |
| InChIKey | QLIDLHNQUJKUQO-UHFFFAOYSA-N |
The XLogP value of 6.0 indicates that [[(3,4-Dimethylphenyl)-phenylmethylidene]amino] thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [[(3,4-Dimethylphenyl)-phenylmethylidene]amino] thiophene-2-carboxylate. Following Lipinski's Rule of Five, [[(3,4-Dimethylphenyl)-phenylmethylidene]amino] thiophene-2-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [[(3,4-Dimethylphenyl)-phenylmethylidene]amino] thiophene-2-carboxylate is 1025576-93-5.
The molecular formula of [[(3,4-Dimethylphenyl)-phenylmethylidene]amino] thiophene-2-carboxylate is C20H17NO2S.
The molecular weight of [[(3,4-Dimethylphenyl)-phenylmethylidene]amino] thiophene-2-carboxylate is 335.098 g/mol.
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