TL;DR: 1-(3,4-Dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione (CAS 543696-82-8) is a chemical compound with molecular formula C17H11Cl2N5O2S and molecular weight 419.00104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
Also Known As: 1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione, 1-(3,4-dichlorophenyl)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]pyrrolidine-2,5-dione, 1-(3,4-dichlorophenyl)-3-((1-phenyl-1H-tetrazol-5-yl)thio)pyrrolidine-2,5-dione, 1-(3,4-dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanyl-pyrrolidine-2,5-dione, Cambridge id 7112707
| Molecular Formula | C17H11Cl2N5O2S |
| Molecular Weight | 419.00104 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.00104 Da |
| Heavy Atoms | 27 |
| Complexity | 580.0 |
| SMILES | C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)SC3=NN=NN3C4=CC=CC=C4 |
| InChIKey | HKFDDQCQGSIBTN-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 1-(3,4-Dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 1-(3,4-Dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione has 0 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 1-(3,4-Dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is 543696-82-8.
The molecular formula of 1-(3,4-Dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is C17H11Cl2N5O2S.
The molecular weight of 1-(3,4-Dichlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione is 419.00104 g/mol.
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