TL;DR: Acetic acid, (4-(2-phenylamino)-4-thiazolyl)phenoxy-, ethyl ester (CAS 168127-30-8) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate
Also Known As: Ethyl (4-(2-phenylamino)-4-thiazolyl)phenoxyacetate, Acetic acid, (4-(2-phenylamino)-4-thiazolyl)phenoxy-, ethyl ester, ethyl 2-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate, Ethyl [4-(2-anilino-1,3-thiazol-4-yl)phenoxy]acetate, Acetic acid,2-[4-[2-(phenylamino)-4-thiazolyl]phenoxy]-, ethyl ester
| Molecular Formula | C19H18N2O3S |
| Molecular Weight | 354.10382 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.10382 Da |
| Heavy Atoms | 25 |
| Complexity | 409.0 |
| SMILES | CCOC(=O)COC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC=C3 |
| InChIKey | JTBAUYBFAAUYBB-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Acetic acid, (4-(2-phenylamino)-4-thiazolyl)phenoxy-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (4-(2-phenylamino)-4-thiazolyl)phenoxy-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, (4-(2-phenylamino)-4-thiazolyl)phenoxy-, ethyl ester 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 Acetic acid, (4-(2-phenylamino)-4-thiazolyl)phenoxy-, ethyl ester is 168127-30-8.
The molecular formula of Acetic acid, (4-(2-phenylamino)-4-thiazolyl)phenoxy-, ethyl ester is C19H18N2O3S.
The molecular weight of Acetic acid, (4-(2-phenylamino)-4-thiazolyl)phenoxy-, ethyl ester is 354.10382 g/mol.
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