TL;DR: BAS 12662372 (CAS 876669-61-3) is a chemical compound with molecular formula C20H21N5O3 and molecular weight 379.16443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(3,5-dimethylphenyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione
Also Known As: BAS 12662372, VU0491504-1, 8-(3,5-dimethylphenyl)-1,7-dimethyl-3-(2-oxopropyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, F2583-0018, 6-(3,5-dimethylphenyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C20H21N5O3 |
| Molecular Weight | 379.16443 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 79.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.16443 Da |
| Heavy Atoms | 28 |
| Complexity | 675.0 |
| SMILES | CC1=CC(=CC(=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C)C)C |
| InChIKey | MHOJAXNVRQHXCL-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that BAS 12662372 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12662372. Following Lipinski's Rule of Five, BAS 12662372 has 0 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 BAS 12662372 is 876669-61-3.
The molecular formula of BAS 12662372 is C20H21N5O3.
The molecular weight of BAS 12662372 is 379.16443 g/mol.
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