![methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate structure](/static/products/859/859666-83-4.png)
methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate
TL;DR: methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate (CAS 859666-83-4) is a chemical compound with molecular formula C19H19N5O5 and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[7-(4-methoxyphenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]acetate
Also Known As: methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate, methyl 2-[7-(4-methoxyphenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]acetate, methyl [7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]acetate
| Molecular Formula | C19H19N5O5 |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | 0.535 |
| Topological Polar Surface Area | 101.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.1386 |
| Heavy Atoms | 29 |
| Complexity | 1370.9988 |
Chemical Identifiers
| CAS Number | 859666-83-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC(=O)OC)C4=CC=C(C=C4)OC |
Product Overview
methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate (CAS 859666-83-4), with molecular formula C19H19N5O5 and molecular weight 397.14 g/mol. IUPAC: methyl 2-[7-(4-methoxyphenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]acetate.
Chemical Property Profile of methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate
Property Insights of methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate
The XLogP value of 0.535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate. The TPSA of 101.76 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate. Following Lipinski's Rule of Five, methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(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 methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate?
The CAS number of methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate is 859666-83-4.
What is the molecular formula of methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate?
The molecular formula of methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate is C19H19N5O5.
What is the molecular weight of methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate?
The molecular weight of methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate is 397.14 g/mol.
Where can I buy methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate?
You can request a quote for methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(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 methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.