Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate
TL;DR: Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate (CAS 62787-59-1) is a chemical compound with molecular formula C14H18N4O6 and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate
Also Known As: diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate, Diethyl 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propanedioate, Diethyl (3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanedioate
| Molecular Formula | C14H18N4O6 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.12262 |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 62787-59-1 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)N1C(=O)C2=C(N=CN2C)N(C1=O)C |
| InChIKey | IUIUNYNYONARDI-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate (CAS 62787-59-1), with molecular formula C14H18N4O6 and molecular weight 338.12 g/mol. IUPAC: diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate.
Chemical Property Profile of Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate
Property Insights of Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate has 0 hydrogen bond donor(s) and 7 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 Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate?
The CAS number of Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate is 62787-59-1.
What is the molecular formula of Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate?
The molecular formula of Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate is C14H18N4O6.
What is the molecular weight of Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate?
The molecular weight of Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate is 338.12 g/mol.
Where can I buy Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate?
You can request a quote for Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.