TL;DR: Isophthalanilide, 4-hydroxy-2',2'',4',4'',5-pentachloro- (CAS 102395-72-2) is a chemical compound with molecular formula C20H11Cl5N2O3 and molecular weight 501.92123 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-1-N,3-N-bis(2,4-dichlorophenyl)-4-hydroxybenzene-1,3-dicarboxamide
Also Known As: SC. 121, SC.121, Isophthalanilide, 4-hydroxy-2',2'',4',4'',5-pentachloro-, 2',2'',4',4'',5-Pentachloro-4-hydroxy-isophthalanilide, 5-chloro-1-N,3-N-bis(2,4-dichlorophenyl)-4-hydroxybenzene-1,3-dicarboxamide
| Molecular Formula | C20H11Cl5N2O3 |
| Molecular Weight | 501.92123 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 503.91827 Da |
| Heavy Atoms | 30 |
| Complexity | 627.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)NC(=O)C2=CC(=C(C(=C2)Cl)O)C(=O)NC3=C(C=C(C=C3)Cl)Cl |
| InChIKey | PGLHDBZVFCHRLZ-UHFFFAOYSA-N |
The XLogP value of 6.9 indicates that Isophthalanilide, 4-hydroxy-2',2'',4',4'',5-pentachloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Isophthalanilide, 4-hydroxy-2',2'',4',4'',5-pentachloro-. Following Lipinski's Rule of Five, Isophthalanilide, 4-hydroxy-2',2'',4',4'',5-pentachloro- has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Isophthalanilide, 4-hydroxy-2',2'',4',4'',5-pentachloro- is 102395-72-2.
The molecular formula of Isophthalanilide, 4-hydroxy-2',2'',4',4'',5-pentachloro- is C20H11Cl5N2O3.
The molecular weight of Isophthalanilide, 4-hydroxy-2',2'',4',4'',5-pentachloro- is 501.92123 g/mol.
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