![2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide structure](/static/products/850/850156-61-5.png)
2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide
TL;DR: 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide (CAS 850156-61-5) is a chemical compound with molecular formula C23H22N6O4 and molecular weight 446.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide
Also Known As: 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide, 2-(1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetamide, 2-[1-METHYL-2,4-DIOXO-9-(4-PHENOXYPHENYL)-1H,2H,3H,4H,6H,7H,8H,9H-PYRIMIDO[1,2-G]PURIN-3-YL]ACETAMIDE, 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide
| Molecular Formula | C23H22N6O4 |
|---|---|
| Molecular Weight | 446.17 g/mol |
| LogP | 1.7161 |
| Topological Polar Surface Area | 117.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.17026 |
| Heavy Atoms | 33 |
| Complexity | 1467.6018 |
Chemical Identifiers
| CAS Number | 850156-61-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC(=O)N)N3CCCN(C3=N2)C4=CC=C(C=C4)OC5=CC=CC=C5 |
Product Overview
2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide (CAS 850156-61-5), with molecular formula C23H22N6O4 and molecular weight 446.17 g/mol. IUPAC: 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide.
Chemical Property Profile of 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide
Property Insights of 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide
The XLogP value of 1.7161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide. The TPSA of 117.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide. Following Lipinski's Rule of Five, 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide has 1 hydrogen bond donor(s) and 6 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-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide?
The CAS number of 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide is 850156-61-5.
What is the molecular formula of 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide?
The molecular formula of 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide is C23H22N6O4.
What is the molecular weight of 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide?
The molecular weight of 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide is 446.17 g/mol.
Where can I buy 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide?
You can request a quote for 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-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-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-methyl-2,4-dioxo-9-(4-phenoxyphenyl)-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.