3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid
TL;DR: 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid (CAS 5815-65-6) 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.
3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanoic acid
Also Known As: 2-morpholin-4-yl-N-phenyl-acetamide, 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propanoic acid, 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanoic acid, 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid, 3-(3,7-dimethyl-2,6-dioxo-2,3-dihydro-6H-purin-1(7H)-yl)propanoic acid
| Molecular Formula | C10H12N4O4 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 95.7 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 | 5815-65-6 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC(=O)O |
| InChIKey | SCWZFIOJEFQBMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid (CAS 5815-65-6), with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol. IUPAC: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanoic acid.
Chemical Property Profile of 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid
Property Insights of 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid
The XLogP value of -0.6 indicates that 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid 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 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid?
The CAS number of 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid is 5815-65-6.
What is the molecular formula of 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid?
The molecular formula of 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid is C10H12N4O4.
What is the molecular weight of 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid?
The molecular weight of 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid is 252.09 g/mol.
Where can I buy 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid?
You can request a quote for 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,7-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.