ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate
TL;DR: ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate (CAS 102838-42-6) is a chemical compound with molecular formula C10H12N4O4 and molecular weight 252.08586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(3-methyl-2,6-dioxopurin-7-yl)acetate
Also Known As: ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate, SDCCGMLS-0065448.P001, ethyl 2-(3-methyl-2,6-dioxopurin-7-yl)acetate, BAS 00162599, F0373-0032
Technical Specifications
| Molecular Formula | C10H12N4O4 |
| Molecular Weight | 252.08586 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.08586 Da |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
| SMILES | CCOC(=O)CN1C=NC2=C1C(=O)NC(=O)N2C |
| InChIKey | LPIAFGUWHTTZPO-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate
Property Insights of ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate
The XLogP value of -0.4 indicates that ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate?
The CAS number of ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate is 102838-42-6.
What is the molecular formula of ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate?
The molecular formula of ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate is C10H12N4O4.
What is the molecular weight of ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate?
The molecular weight of ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate is 252.08586 g/mol.
Where can I buy ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate?
You can request a quote for ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate?
Yes, CoreyChem provides custom synthesis services for ethyl 2-(3-methyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.