TL;DR: BAS 08978546 (CAS 1092943-87-7) is a chemical compound with molecular formula C13H13N5O3 and molecular weight 287.10184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-methoxyphenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
Also Known As: BAS 08978546, N-(3-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide, N-(3-methoxyphenyl)-7-oxo-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide, N-(3-methoxyphenyl)(7-oxo(4,5,6,8-tetrahydro-1,2,4-triazolo[1,5-a]pyrimidin-5- yl))carboxamide, N-(3-methoxyphenyl)-7-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
| Molecular Formula | C13H13N5O3 |
| Molecular Weight | 287.10184 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.10184 Da |
| Heavy Atoms | 21 |
| Complexity | 419.0 |
| SMILES | COC1=CC=CC(=C1)NC(=O)C2CC(=O)N3C(=NC=N3)N2 |
| InChIKey | FCMYNYRAMZQJQF-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08978546. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 08978546. Following Lipinski's Rule of Five, BAS 08978546 has 2 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 BAS 08978546 is 1092943-87-7.
The molecular formula of BAS 08978546 is C13H13N5O3.
The molecular weight of BAS 08978546 is 287.10184 g/mol.
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