3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid
TL;DR: 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid (CAS 17676-20-9) is a chemical compound with molecular formula C11H14N4O4 and molecular weight 266.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propanoic acid
Also Known As: 8-caffeinepropionic acid, 3-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid, 3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propanoic acid, 1H-Purine-8-propanoicacid, 2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-, RefChem:273098
| Molecular Formula | C11H14N4O4 |
|---|---|
| Molecular Weight | 266.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.1015 |
| Heavy Atoms | 19 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 17676-20-9 |
|---|---|
| SMILES | CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCC(=O)O |
| InChIKey | MNVIFUHRCHMDJY-UHFFFAOYSA-N |
Product Overview
3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid (CAS 17676-20-9), with molecular formula C11H14N4O4 and molecular weight 266.10 g/mol. IUPAC: 3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propanoic acid.
Chemical Property Profile of 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid
Property Insights of 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid
The XLogP value of -0.3 indicates that 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-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-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-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-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid?
The CAS number of 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid is 17676-20-9.
What is the molecular formula of 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid?
The molecular formula of 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid is C11H14N4O4.
What is the molecular weight of 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid?
The molecular weight of 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid is 266.10 g/mol.
Where can I buy 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid?
You can request a quote for 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-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-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.