2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid
TL;DR: 2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid (CAS 1008670-41-4) is a chemical compound with molecular formula C25H27N5O6 and molecular weight 493.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-2,6-dioxopurin-8-yl]amino]-3-phenylpropanoic acid
Also Known As: 2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid, 2-[[7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-2,6-dioxopurin-8-yl]amino]-3-phenylpropanoic acid, N-{6-hydroxy-7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl}phenylalanine
| Molecular Formula | C25H27N5O6 |
|---|---|
| Molecular Weight | 493.20 g/mol |
| LogP | 1.27942 |
| Topological Polar Surface Area | 151.47 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 493.19614 |
| Heavy Atoms | 36 |
| Complexity | 1473.3448 |
Chemical Identifiers
| CAS Number | 1008670-41-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NC(CC4=CC=CC=C4)C(=O)O)N(C(=O)NC3=O)C)O |
Product Overview
2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid (CAS 1008670-41-4), with molecular formula C25H27N5O6 and molecular weight 493.20 g/mol. IUPAC: 2-[[7-[2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-2,6-dioxopurin-8-yl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of 2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid
Property Insights of 2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid
The XLogP value of 1.27942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid. The TPSA of 151.47 Ų indicates high polarity, suggesting 2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid has 4 hydrogen bond donor(s) and 7 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 2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-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-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid is 1008670-41-4.
What is the molecular formula of 2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-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-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid is C25H27N5O6.
What is the molecular weight of 2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-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-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid is 493.20 g/mol.
Where can I buy 2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-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-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((7-(2-hydroxy-3-(p-tolyloxy)propyl)-3-methyl-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.