alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid
TL;DR: alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid (CAS 109531-96-6) is a chemical compound with molecular formula C10H13N5O4 and molecular weight 267.09674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-(3,7-dimethyl-2,6-dioxopurin-8-yl)propanoic acid
Also Known As: beta-(Theobromine-8)-alpha-alanine, alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid, 2-amino-3-(3,7-dimethyl-2,6-dioxopurin-8-yl)propanoic acid, 3-(3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)alanine, Purine-8-propionic acid, alpha-amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxo-
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13N5O4 |
| Molecular Weight | 267.09674 g/mol |
| XLogP | -3.9 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.09674 Da |
| Heavy Atoms | 19 |
| Complexity | 428.0 |
| SMILES | CN1C(=NC2=C1C(=O)NC(=O)N2C)CC(C(=O)O)N |
| InChIKey | FOTLFXOEEPODAN-UHFFFAOYSA-N |
Chemical Property Profile of alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid
Property Insights of alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid
The XLogP value of -3.9 indicates that alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid. Following Lipinski's Rule of Five, alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid?
The CAS number of alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid is 109531-96-6.
What is the molecular formula of alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid?
The molecular formula of alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid is C10H13N5O4.
What is the molecular weight of alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid?
The molecular weight of alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid is 267.09674 g/mol.
Where can I buy alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid?
You can request a quote for alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid?
Yes, CoreyChem provides custom synthesis services for alpha-Amino-1,2,3,6-tetrahydro-3,7-dimethyl-2,6-dioxopurine-8-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.