2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)acetic 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)acetic acid (CAS 877786-07-7) is a chemical compound with molecular formula C19H23N5O6 and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]amino]acetic 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)acetic acid, 2-[[7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]amino]acetic Acid, 2-[[7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]amino]acetic acid, N-{7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}glycine
| Molecular Formula | C19H23N5O6 |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | -0.32148 |
| Topological Polar Surface Area | 140.61 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.16483 |
| Heavy Atoms | 30 |
| Complexity | 1208.5709 |
Chemical Identifiers
| CAS Number | 877786-07-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCC(=O)O)N(C(=O)N(C3=O)C)C)O |
Product Overview
2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)acetic acid (CAS 877786-07-7), with molecular formula C19H23N5O6 and molecular weight 417.16 g/mol. IUPAC: 2-[[7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]amino]acetic acid.
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)acetic 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)acetic acid
The XLogP value of -0.32148 indicates that 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 140.61 Ų indicates high polarity, suggesting 2-((7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)acetic acid may have limited membrane permeability but good aqueous solubility. 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)acetic acid has 3 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-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)acetic 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)acetic acid is 877786-07-7.
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)acetic 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)acetic acid is C19H23N5O6.
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)acetic 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)acetic acid is 417.16 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)acetic 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)acetic 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-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)acetic acid?
Yes, KEHONG BIO 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)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.