![methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate structure](/static/products/896/896597-31-2.png)
methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate
TL;DR: methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate (CAS 896597-31-2) is a chemical compound with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4,7-dimethyl-1,3-dioxo-6-(2-phenylethyl)purino[7,8-a]imidazol-2-yl]propanoate
Also Known As: methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate, methyl 2-(4,7-dimethyl-1,3-dioxo-6-phenethylpurino[7,8-a]imidazol-2-yl)propanoate, methyl 2-(1,7-dimethyl-2,4-dioxo-8-phenethyl-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)propanoate, methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl]propanoate
| Molecular Formula | C21H23N5O4 |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 1.43452 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.17502 |
| Heavy Atoms | 30 |
| Complexity | 1374.1605 |
Chemical Identifiers
| CAS Number | 896597-31-2 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)C(C)C(=O)OC)C |
Product Overview
methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate (CAS 896597-31-2), with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol. IUPAC: methyl 2-[4,7-dimethyl-1,3-dioxo-6-(2-phenylethyl)purino[7,8-a]imidazol-2-yl]propanoate.
Chemical Property Profile of methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate
Property Insights of methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate
The XLogP value of 1.43452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate. Following Lipinski's Rule of Five, methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]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 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate?
The CAS number of methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate is 896597-31-2.
What is the molecular formula of methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate?
The molecular formula of methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate is C21H23N5O4.
What is the molecular weight of methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate?
The molecular weight of methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate is 409.18 g/mol.
Where can I buy methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate?
You can request a quote for methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]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 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[1,7-dimethyl-2,4-dioxo-8-(2-phenylethyl)-1,3,5-trihydro-4-imidazolin o[1,2-h]purin-3-yl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.