8-Theophyllinepropionic acid
TL;DR: 8-Theophyllinepropionic acid (CAS 6300-28-3) 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-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanoic acid
Also Known As: 8-Theophyllinepropionic acid, NCIStruc1_000456, NCIStruc2_000578, NCI60_003363, 3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)propanoic acid
| Molecular Formula | C10H12N4O4 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.08586 |
| Heavy Atoms | 18 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 6300-28-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC(=O)O |
| InChIKey | RJXYOFPNOBNMOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Theophyllinepropionic acid (CAS 6300-28-3), with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol. IUPAC: 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanoic acid.
Chemical Property Profile of 8-Theophyllinepropionic acid
Property Insights of 8-Theophyllinepropionic acid
The XLogP value of -0.2 indicates that 8-Theophyllinepropionic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Theophyllinepropionic acid. Following Lipinski's Rule of Five, 8-Theophyllinepropionic acid has 2 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 8-Theophyllinepropionic acid?
The CAS number of 8-Theophyllinepropionic acid is 6300-28-3.
What is the molecular formula of 8-Theophyllinepropionic acid?
The molecular formula of 8-Theophyllinepropionic acid is C10H12N4O4.
What is the molecular weight of 8-Theophyllinepropionic acid?
The molecular weight of 8-Theophyllinepropionic acid is 252.09 g/mol.
Where can I buy 8-Theophyllinepropionic acid?
You can request a quote for 8-Theophyllinepropionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Theophyllinepropionic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-Theophyllinepropionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.