![methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate structure](/static/products/899/899406-76-9.png)
methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate
TL;DR: methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate (CAS 899406-76-9) is a chemical compound with molecular formula C19H19N5O4 and molecular weight 381.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4,7-dimethyl-1,3-dioxo-6-phenylpurino[7,8-a]imidazol-2-yl)propanoate
Also Known As: methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate, methyl 3-(4,7-dimethyl-1,3-dioxo-6-phenylpurino[7,8-a]imidazol-2-yl)propanoate, methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)propanoate
| Molecular Formula | C19H19N5O4 |
|---|---|
| Molecular Weight | 381.14 g/mol |
| LogP | 1.01012 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.1437 |
| Heavy Atoms | 28 |
| Complexity | 1324.1053 |
Chemical Identifiers
| CAS Number | 899406-76-9 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1C4=CC=CC=C4)N(C(=O)N(C3=O)CCC(=O)OC)C |
Product Overview
methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate (CAS 899406-76-9), with molecular formula C19H19N5O4 and molecular weight 381.14 g/mol. IUPAC: methyl 3-(4,7-dimethyl-1,3-dioxo-6-phenylpurino[7,8-a]imidazol-2-yl)propanoate.
Chemical Property Profile of methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate
Property Insights of methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate
The XLogP value of 1.01012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate. Following Lipinski's Rule of Five, methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate has 0 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 methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate?
The CAS number of methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate is 899406-76-9.
What is the molecular formula of methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate?
The molecular formula of methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate is C19H19N5O4.
What is the molecular weight of methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate?
The molecular weight of methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate is 381.14 g/mol.
Where can I buy methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate?
You can request a quote for methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-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-(1,7-dimethyl-2,4-dioxo-8-phenyl-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(1,7-dimethyl-2,4-dioxo-8-phenyl-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.