![2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid structure](/static/products/7309/730992-40-2.webp)
2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid
TL;DR: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid (CAS 730992-40-2) is a chemical compound with molecular formula C18H20N4O4 and molecular weight 356.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]acetic acid
Also Known As: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid, (3-benzyl-7-isobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl)acetic acid, 2-(3-Benzyl-7-isobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-1-yl)acetic acid, 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-purin-1-yl]acetic Acid, 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]acetic acid
| Molecular Formula | C18H20N4O4 |
|---|---|
| Molecular Weight | 356.15 g/mol |
| LogP | 1.1486 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.14847 |
| Heavy Atoms | 26 |
| Complexity | 1060.47 |
Chemical Identifiers
| CAS Number | 730992-40-2 |
|---|---|
| SMILES | CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)O |
Product Overview
2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid (CAS 730992-40-2), with molecular formula C18H20N4O4 and molecular weight 356.15 g/mol. IUPAC: 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]acetic acid.
Chemical Property Profile of 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid
Property Insights of 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid
The XLogP value of 1.1486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid. The TPSA of 99.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-benzyl-7-(2-methylpropyl)-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-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid has 1 hydrogen bond donor(s) and 4 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-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid?
The CAS number of 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid is 730992-40-2.
What is the molecular formula of 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid?
The molecular formula of 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid is C18H20N4O4.
What is the molecular weight of 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid?
The molecular weight of 2-[3-benzyl-7-(2-methylpropyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl]acetic acid is 356.15 g/mol.
Where can I buy 2-[3-benzyl-7-(2-methylpropyl)-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-methylpropyl)-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-methylpropyl)-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-methylpropyl)-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.