![2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid structure](/static/products/7309/730992-63-9.webp)
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid
TL;DR: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid (CAS 730992-63-9) is a chemical compound with molecular formula C17H18N4O5 and molecular weight 358.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]acetic acid
Also Known As: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid, [3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid, 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]acetic acid, 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]acetic Acid, 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-9H-purin-7-ium-1-yl]acetate
| Molecular Formula | C17H18N4O5 |
|---|---|
| Molecular Weight | 358.13 g/mol |
| LogP | 0.139 |
| Topological Polar Surface Area | 108.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.12772 |
| Heavy Atoms | 26 |
| Complexity | 1048.6859 |
Chemical Identifiers
| CAS Number | 730992-63-9 |
|---|---|
| SMILES | COCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)O |
Product Overview
2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid (CAS 730992-63-9), with molecular formula C17H18N4O5 and molecular weight 358.13 g/mol. IUPAC: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]acetic acid.
Chemical Property Profile of 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid
Property Insights of 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid
The XLogP value of 0.139 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid. The TPSA of 108.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid. Following Lipinski's Rule of Five, 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid has 1 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 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid?
The CAS number of 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid is 730992-63-9.
What is the molecular formula of 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid?
The molecular formula of 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid is C17H18N4O5.
What is the molecular weight of 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid?
The molecular weight of 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid is 358.13 g/mol.
Where can I buy 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid?
You can request a quote for 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]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-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.