TL;DR: 8-amino-1,3,7-trimethylbenzo[g]pteridine-2,4(1H,3H)-dione (CAS 109016-96-8) is a chemical compound with molecular formula C13H13N5O2 and molecular weight 271.10693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-amino-1,3,7-trimethylbenzo[g]pteridine-2,4-dione
Also Known As: 8-amino-1,3,7-trimethylbenzo[g]pteridine-2,4(1H,3H)-dione, AB00076393-01, 8-amino-1,3,7-trimethylbenzo[g]pteridine-2,4-dione, 8-amino-1,3,7-trimethyl-1,3-dihydrobenzo[g]pteridine-2,4-dione
| Molecular Formula | C13H13N5O2 |
| Molecular Weight | 271.10693 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 271.10693 Da |
| Heavy Atoms | 20 |
| Complexity | 442.0 |
| SMILES | CC1=CC2=C(C=C1N)N=C3C(=N2)C(=O)N(C(=O)N3C)C |
| InChIKey | MQZPSLQSYHKJHU-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-amino-1,3,7-trimethylbenzo[g]pteridine-2,4(1H,3H)-dione. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-amino-1,3,7-trimethylbenzo[g]pteridine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 8-amino-1,3,7-trimethylbenzo[g]pteridine-2,4(1H,3H)-dione has 1 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 8-amino-1,3,7-trimethylbenzo[g]pteridine-2,4(1H,3H)-dione is 109016-96-8.
The molecular formula of 8-amino-1,3,7-trimethylbenzo[g]pteridine-2,4(1H,3H)-dione is C13H13N5O2.
The molecular weight of 8-amino-1,3,7-trimethylbenzo[g]pteridine-2,4(1H,3H)-dione is 271.10693 g/mol.
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