TL;DR: BAS 01258485 (CAS 117822-68-1) is a chemical compound with molecular formula C10H14N6O3 and molecular weight 266.11273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[cyano-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate
Also Known As: BAS 01258485, [Cyano-(4-dimethylamino-6-methoxy-[1,3,5]triazin-2-yl)-amino]-acetic acid methyl ester, methyl 2-(N-(4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl)cyanamido)acetate, methyl 2-[cyano-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]acetate, methyl 2-{[6-(dimethylamino)-4-methoxy(1,3,5-triazin-2-yl)]cyanoamino}acetate
| Molecular Formula | C10H14N6O3 |
| Molecular Weight | 266.11273 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.11273 Da |
| Heavy Atoms | 19 |
| Complexity | 354.0 |
| SMILES | CN(C)C1=NC(=NC(=N1)OC)N(CC(=O)OC)C#N |
| InChIKey | HQNSDNQQUVTAHW-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01258485. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01258485. Following Lipinski's Rule of Five, BAS 01258485 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 01258485 is 117822-68-1.
The molecular formula of BAS 01258485 is C10H14N6O3.
The molecular weight of BAS 01258485 is 266.11273 g/mol.
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