TL;DR: triphenylmethane derivative, 4 (CAS 143193-31-1) is a chemical compound with molecular formula C33H23Cl3N2O4 and molecular weight 616.0723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[4-[[4-(3-carboxy-4-chloroanilino)phenyl]-chloro-phenylmethyl]anilino]-2-chlorobenzoic acid
Also Known As: triphenylmethane derivative, 4, 5-[4-[[4-(3-carboxy-4-chloroanilino)phenyl]-chloro-phenylmethyl]anilino]-2-chlorobenzoic acid, 4,4'-bis-(3-Carboxy-4-chloroanilino)tritylium chloride, Benzoic acid,3,3'-[(chlorophenylmethylene)bis(4,1-phenyleneimino)]bis[6-chloro- (9CI), 4,4'-BIS(3-CARBOXY-4-CHLOROPHENYL-AMINO)TRITYL CHLORIDE
| Molecular Formula | C33H23Cl3N2O4 |
| Molecular Weight | 616.0723 g/mol |
| XLogP | 8.9 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 616.0723 Da |
| Heavy Atoms | 42 |
| Complexity | 842.0 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=C(C=C2)NC3=CC(=C(C=C3)Cl)C(=O)O)(C4=CC=C(C=C4)NC5=CC(=C(C=C5)Cl)C(=O)O)Cl |
| InChIKey | XBBQRUDAAHWPBS-UHFFFAOYSA-N |
The XLogP value of 8.9 indicates that triphenylmethane derivative, 4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for triphenylmethane derivative, 4. Following Lipinski's Rule of Five, triphenylmethane derivative, 4 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of triphenylmethane derivative, 4 is 143193-31-1.
The molecular formula of triphenylmethane derivative, 4 is C33H23Cl3N2O4.
The molecular weight of triphenylmethane derivative, 4 is 616.0723 g/mol.
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