TL;DR: Ethanol lumiflavine (CAS 3180-56-1) is a chemical compound with molecular formula C14H14N4O3 and molecular weight 286.1066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-(2-hydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
Also Known As: Ethanol lumiflavine, hydroxyethylflavine, 10-Hydroxyethylflavin, 7,8-Dhei, Isoalloxazine,8-dimethyl-
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H14N4O3 |
| Molecular Weight | 286.1066 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 94.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.1066 Da |
| Heavy Atoms | 21 |
| Complexity | 542.0 |
| SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CCO |
| InChIKey | MYNIJFMVMJFIPZ-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol lumiflavine. The TPSA of 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol lumiflavine. Following Lipinski's Rule of Five, Ethanol lumiflavine has 2 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 Ethanol lumiflavine is 3180-56-1.
The molecular formula of Ethanol lumiflavine is C14H14N4O3.
The molecular weight of Ethanol lumiflavine is 286.1066 g/mol.
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