TL;DR: Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)- (CAS 168127-38-6) is a chemical compound with molecular formula C17H13ClN2O3S and molecular weight 360.03354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid
Also Known As: Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)-, (4-(2-((4-Chlorophenyl)amino)-4-thiazolyl)phenoxy)acetic acid, 2-[4-[2-[(4-CHLOROPHENYL)AMINO]-1,3-THIAZOL-4-YL]PHENOXY]ACETIC ACID, 2-[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenoxy]acetic acid, {4-[2-(4-Chloroanilino)-1,3-thiazol-4-yl]phenoxy}acetic acid
| Molecular Formula | C17H13ClN2O3S |
| Molecular Weight | 360.03354 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 99.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.03354 Da |
| Heavy Atoms | 24 |
| Complexity | 413.0 |
| SMILES | C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)Cl)OCC(=O)O |
| InChIKey | LVLVXZIMRQHNEJ-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)-. Following Lipinski's Rule of Five, Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)- has 2 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-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)- is 168127-38-6.
The molecular formula of Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)- is C17H13ClN2O3S.
The molecular weight of Acetic acid, (4-(2-((4-chlorophenyl)amino)-4-thiazolyl)phenoxy)- is 360.03354 g/mol.
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