TL;DR: trolnitratephosphate (CAS 1020719-22-5) is a chemical compound with molecular formula C23H29N5O2 and molecular weight 407.23212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butan-2-yl-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
Also Known As: trolnitratephosphate, Itraconazole EP Impurity A, Itraconazole Impurity A, Itraconazole impurity A [EP], TimTec1_006484
| Molecular Formula | C23H29N5O2 |
| Molecular Weight | 407.23212 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.23212 Da |
| Heavy Atoms | 30 |
| Complexity | 590.0 |
| SMILES | CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC |
| InChIKey | IVIVGYTUQVJVPF-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that trolnitratephosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, trolnitratephosphate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trolnitratephosphate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of trolnitratephosphate is 1020719-22-5.
The molecular formula of trolnitratephosphate is C23H29N5O2.
The molecular weight of trolnitratephosphate is 407.23212 g/mol.
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