TL;DR: Thiophene-2-carboxylic acid (2,2,2-trichloro-1-(4-phenylazo-phenylamino)ET)amide (CAS 1321674-06-9) is a chemical compound with molecular formula C19H15Cl3N4OS and molecular weight 452.0032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2,2,2-trichloro-1-(4-phenyldiazenylanilino)ethyl]thiophene-2-carboxamide
Also Known As: BAS 00663862, THIOPHENE-2-CARBOXYLIC ACID (2,2,2-TRICHLORO-1-(4-PHENYLAZO-PHENYLAMINO)ET)AMIDE, 2-thienyl-N-(2,2,2-trichloro-1-{[4-(phenyldiazenyl)phenyl]amino}ethyl)carboxam ide, N-[2,2,2-trichloro-1-(4-phenyldiazenylanilino)ethyl]thiophene-2-carboxamide, 2-Thiophenecarboxamide, N-[2,2,2-trichloro-1-[[4-[(1E)-2-phenyldiazenyl]phenyl]amino]ethyl]-
| Molecular Formula | C19H15Cl3N4OS |
| Molecular Weight | 452.0032 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 94.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.0032 Da |
| Heavy Atoms | 28 |
| Complexity | 532.0 |
| SMILES | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CS3 |
| InChIKey | BQPNPJFQYOYRKV-UHFFFAOYSA-N |
The XLogP value of 7.2 indicates that Thiophene-2-carboxylic acid (2,2,2-trichloro-1-(4-phenylazo-phenylamino)ET)amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiophene-2-carboxylic acid (2,2,2-trichloro-1-(4-phenylazo-phenylamino)ET)amide. Following Lipinski's Rule of Five, Thiophene-2-carboxylic acid (2,2,2-trichloro-1-(4-phenylazo-phenylamino)ET)amide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Thiophene-2-carboxylic acid (2,2,2-trichloro-1-(4-phenylazo-phenylamino)ET)amide is 1321674-06-9.
The molecular formula of Thiophene-2-carboxylic acid (2,2,2-trichloro-1-(4-phenylazo-phenylamino)ET)amide is C19H15Cl3N4OS.
The molecular weight of Thiophene-2-carboxylic acid (2,2,2-trichloro-1-(4-phenylazo-phenylamino)ET)amide is 452.0032 g/mol.
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