![2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide structure](/static/products/893/893957-52-3.png)
2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide
TL;DR: 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide (CAS 893957-52-3) is a chemical compound with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide
Also Known As: 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide, 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide, 2-(9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetamide, 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide, 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetamide
| Molecular Formula | C21H26N6O3 |
|---|---|
| Molecular Weight | 410.21 g/mol |
| LogP | 1.2664 |
| Topological Polar Surface Area | 108.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.20663 |
| Heavy Atoms | 30 |
| Complexity | 1218.7432 |
Chemical Identifiers
| CAS Number | 893957-52-3 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)N |
Product Overview
2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide (CAS 893957-52-3), with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol. IUPAC: 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide.
Chemical Property Profile of 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide
Property Insights of 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide
The XLogP value of 1.2664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide. The TPSA of 108.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide. Following Lipinski's Rule of Five, 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide 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-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide?
The CAS number of 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide is 893957-52-3.
What is the molecular formula of 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide?
The molecular formula of 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide is C21H26N6O3.
What is the molecular weight of 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide?
The molecular weight of 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide is 410.21 g/mol.
Where can I buy 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide?
You can request a quote for 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-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-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhy droino[1,2-h]purin-3-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.