Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate
TL;DR: Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate (CAS 6300-59-0) is a chemical compound with molecular formula C12H16N4O4 and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanoate
Also Known As: Ethyl 8-theophyllinepropionate, ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate, ethyl 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanoate
| Molecular Formula | C12H16N4O4 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.11716 |
| Heavy Atoms | 20 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 6300-59-0 |
|---|---|
| SMILES | CCOC(=O)CCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C |
| InChIKey | VEWQMDQQTGYUMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate (CAS 6300-59-0), with molecular formula C12H16N4O4 and molecular weight 280.12 g/mol. IUPAC: ethyl 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanoate.
Chemical Property Profile of Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate
Property Insights of Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate 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 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate?
The CAS number of Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate is 6300-59-0.
What is the molecular formula of Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate?
The molecular formula of Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate is C12H16N4O4.
What is the molecular weight of Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate?
The molecular weight of Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate is 280.12 g/mol.
Where can I buy Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate?
You can request a quote for Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.