TL;DR: Brn 4877321 (CAS 141300-26-7) is a chemical compound with molecular formula C11H9ClN6S and molecular weight 292.0298 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-6-(4-chloroanilino)-1H-pyrazolo[5,4-d]pyrimidine-4-thione
Also Known As: 1,5-Dihydro-5-amino-6-((4-chlorophenyl)amino)-4H-pyrazolo(3,4-d)pyrimidine-4-thione, 4H-Pyrazolo(3,4-d)pyrimidine-4-thione, 1,5-dihydro-5-amino-6-((4-chlorophenyl)amino)-, 5-amino-6-(4-chloroanilino)-1H-pyrazolo[3,4-d]pyrimidine-4-thione, 5-Amino-6-(4-chloroanilino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidine-4-thione, 5-amino-6-[(4-chlorophenyl)amino]-1H,4H,5H-pyrazolo[3,4-d]pyrimidine-4-thione
| Molecular Formula | C11H9ClN6S |
| Molecular Weight | 292.0298 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.0298 Da |
| Heavy Atoms | 19 |
| Complexity | 395.0 |
| SMILES | C1=CC(=CC=C1NC2=NC3=C(C=NN3)C(=S)N2N)Cl |
| InChIKey | QGYNOGDICWGRJW-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brn 4877321. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Brn 4877321. Following Lipinski's Rule of Five, Brn 4877321 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Brn 4877321 is 141300-26-7.
The molecular formula of Brn 4877321 is C11H9ClN6S.
The molecular weight of Brn 4877321 is 292.0298 g/mol.
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