Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate
TL;DR: Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate (CAS 34225-62-2) is a chemical compound with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylate
Also Known As: ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate, ethyl 1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylate, ethyl1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylate, 1H-Purine-8-carboxylicacid, 2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-, ethyl ester
| Molecular Formula | C10H12N4O4 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.08586 |
| Heavy Atoms | 18 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 34225-62-2 |
|---|---|
| SMILES | CCOC(=O)C1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | PGRPEUUTIIMLMQ-UHFFFAOYSA-N |
Product Overview
Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate (CAS 34225-62-2), with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol. IUPAC: ethyl 1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylate.
Chemical Property Profile of Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate
Property Insights of Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate. Following Lipinski's Rule of Five, Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate?
The CAS number of Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate is 34225-62-2.
What is the molecular formula of Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate?
The molecular formula of Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate is C10H12N4O4.
What is the molecular weight of Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate?
The molecular weight of Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate is 252.09 g/mol.
Where can I buy Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate?
You can request a quote for Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.