![ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate structure](/static/products/847/847178-55-6.png)
ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
TL;DR: ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate (CAS 847178-55-6) is a chemical compound with molecular formula C20H23N5O4 and molecular weight 397.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-methyl-9-(3-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate
Also Known As: ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate, ethyl 2-[1-methyl-9-(3-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purin-3-yl]acetate, ethyl 2-[1-methyl-9-(3-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate, ethyl 2-(1-methyl-2,4-dioxo-9-(m-tolyl)-1,2,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(4H)-yl)acetate, ethyl 2-[1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,3,5-trihydro-6H,7H,8H-1,3-dia zaperhydroino[1,2-h]purin-3-yl]acetate
| Molecular Formula | C20H23N5O4 |
|---|---|
| Molecular Weight | 397.18 g/mol |
| LogP | 1.31002 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.17502 |
| Heavy Atoms | 29 |
| Complexity | 1220.0602 |
Chemical Identifiers
| CAS Number | 847178-55-6 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC(=C4)C)N(C1=O)C |
Product Overview
ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate (CAS 847178-55-6), with molecular formula C20H23N5O4 and molecular weight 397.18 g/mol. IUPAC: ethyl 2-[1-methyl-9-(3-methylphenyl)-2,4-dioxo-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetate.
Chemical Property Profile of ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
Property Insights of ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate
The XLogP value of 1.31002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate. Following Lipinski's Rule of Five, ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate has 0 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 ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate?
The CAS number of ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate is 847178-55-6.
What is the molecular formula of ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate?
The molecular formula of ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate is C20H23N5O4.
What is the molecular weight of ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate?
The molecular weight of ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate is 397.18 g/mol.
Where can I buy ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate?
You can request a quote for ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl [1-methyl-9-(3-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.