![Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate structure](/static/products/893/893959-79-0.png)
Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate
TL;DR: Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate (CAS 893959-79-0) is a chemical compound with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate
Also Known As: ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate, ethyl 4-(4-hydroxy-1-methyl-2-oxo-1,2,6,7-tetrahydro-8H-imidazo[2,1-f]purin-8-yl)benzoate, ethyl 4-(1-methyl-2,4-dioxo-3,4,6,7-tetrahydro-1H-imidazo[2,1-f]purin-8(2H)-yl)benzoate, ethyl 4-{1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-8-yl}benzoate
| Molecular Formula | C17H17N5O4 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 0.7517 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.12805 |
| Heavy Atoms | 26 |
| Complexity | 1122.9912 |
Chemical Identifiers
| CAS Number | 893959-79-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CCN3C2=NC4=C3C(=O)NC(=O)N4C |
Product Overview
Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate (CAS 893959-79-0), with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol. IUPAC: ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate.
Chemical Property Profile of Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate
Property Insights of Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate
The XLogP value of 0.7517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate has 1 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 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate?
The CAS number of Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate is 893959-79-0.
What is the molecular formula of Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate?
The molecular formula of Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate is C17H17N5O4.
What is the molecular weight of Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate?
The molecular weight of Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate is 355.13 g/mol.
Where can I buy Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate?
You can request a quote for Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-methyl-1,3-dioxo-7,8-dihydropurino[7,8-a]imidazol-6-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.