![2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide structure](/static/products/868/868213-85-8.png)
2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
TL;DR: 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide (CAS 868213-85-8) is a chemical compound with molecular formula C17H20N6O3 and molecular weight 356.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,3-dimethyl-8-[(4-methylanilino)methyl]-2,6-dioxopurin-7-yl]acetamide
Also Known As: 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide, 2-[1,3-dimethyl-8-[(4-methylanilino)methyl]-2,6-dioxopurin-7-yl]acetamide, 2-(1,3-dimethyl-2,6-dioxo-8-((p-tolylamino)methyl)-2,3-dihydro-1H-purin-7(6H)-yl)acetamide
| Molecular Formula | C17H20N6O3 |
|---|---|
| Molecular Weight | 356.16 g/mol |
| LogP | -0.16048 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.1597 |
| Heavy Atoms | 26 |
| Complexity | 1104.7042 |
Chemical Identifiers
| CAS Number | 868213-85-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCC2=NC3=C(N2CC(=O)N)C(=O)N(C(=O)N3C)C |
Product Overview
2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide (CAS 868213-85-8), with molecular formula C17H20N6O3 and molecular weight 356.16 g/mol. IUPAC: 2-[1,3-dimethyl-8-[(4-methylanilino)methyl]-2,6-dioxopurin-7-yl]acetamide.
Chemical Property Profile of 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Property Insights of 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
The XLogP value of -0.16048 indicates that 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide. Following Lipinski's Rule of Five, 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide has 2 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-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
The CAS number of 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide is 868213-85-8.
What is the molecular formula of 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
The molecular formula of 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide is C17H20N6O3.
What is the molecular weight of 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
The molecular weight of 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide is 356.16 g/mol.
Where can I buy 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
You can request a quote for 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dimethyl-8-{[(4-methylphenyl)amino]methyl}-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.