![methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate structure](/static/products/896/896596-00-2.png)
methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate
TL;DR: methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate (CAS 896596-00-2) is a chemical compound with molecular formula C20H21N5O5 and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[6-(2-methoxyphenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]propanoate
Also Known As: methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate, methyl 3-[6-(2-methoxyphenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]propanoate, methyl 3-(8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)propanoate
| Molecular Formula | C20H21N5O5 |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | 1.01872 |
| Topological Polar Surface Area | 101.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.15427 |
| Heavy Atoms | 30 |
| Complexity | 1405.2279 |
Chemical Identifiers
| CAS Number | 896596-00-2 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC=CC=C4OC)N(C(=O)N(C3=O)CCC(=O)OC)C |
Product Overview
methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate (CAS 896596-00-2), with molecular formula C20H21N5O5 and molecular weight 411.15 g/mol. IUPAC: methyl 3-[6-(2-methoxyphenyl)-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]propanoate.
Chemical Property Profile of methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate
Property Insights of methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate
The XLogP value of 1.01872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate. The TPSA of 101.76 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate. Following Lipinski's Rule of Five, methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate 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 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate?
The CAS number of methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate is 896596-00-2.
What is the molecular formula of methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate?
The molecular formula of methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate is C20H21N5O5.
What is the molecular weight of methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate?
The molecular weight of methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate is 411.15 g/mol.
Where can I buy methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate?
You can request a quote for methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-[8-(2-methoxyphenyl)-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.