TL;DR: Prochloraz metabolite (CAS 139520-94-8) is a chemical compound with molecular formula C12H15Cl3N2O2 and molecular weight 324.0199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea
Also Known As: Prochloraz metabolite, BTS 44595, Prochloraz-desimidazole-amino, PRZ_M325, 1-propyl-1-[2-(2,4,6-trichlorophenoxy)ethyl]urea
| Molecular Formula | C12H15Cl3N2O2 |
| Molecular Weight | 324.0199 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.0199 Da |
| Heavy Atoms | 19 |
| Complexity | 282.0 |
| SMILES | CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N |
| InChIKey | MPNJTIZLDHWBFX-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that Prochloraz metabolite is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, Prochloraz metabolite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prochloraz metabolite has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Prochloraz metabolite is 139520-94-8.
The molecular formula of Prochloraz metabolite is C12H15Cl3N2O2.
The molecular weight of Prochloraz metabolite is 324.0199 g/mol.
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