2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid
TL;DR: 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid (CAS 1008860-16-9) is a chemical compound with molecular formula C26H29N5O6 and molecular weight 507.2118 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]amino]-3-phenylpropanoic acid
Also Known As: 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid, 2-[[7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]amino]-3-phenylpropanoic acid, N-{7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}phenylalanine
Technical Specifications
| Molecular Formula | C26H29N5O6 |
| Molecular Weight | 507.2118 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 507.2118 Da |
| Heavy Atoms | 37 |
| Complexity | 823.0 |
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NC(CC4=CC=CC=C4)C(=O)O)N(C(=O)N(C3=O)C)C)O |
| InChIKey | UPNPBXQPNPSPDZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid
Property Insights of 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid?
The CAS number of 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid is 1008860-16-9.
What is the molecular formula of 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid?
The molecular formula of 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid is C26H29N5O6.
What is the molecular weight of 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid?
The molecular weight of 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid is 507.2118 g/mol.
Where can I buy 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid?
You can request a quote for 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.