![Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate structure](/static/products/899/899384-21-5.png)
Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate
TL;DR: Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate (CAS 899384-21-5) 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 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate
Also Known As: methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate, methyl (8-benzyl-1,7-dimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)acetate, methyl 2-(8-benzyl-1,7-dimethyl-2,4-dioxo-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetate, methyl 2-[1,7-dimethyl-2,4-dioxo-8-benzyl-1,3,5-trihydro-4-imidazolino[1,2-h]p urin-3-yl]acetate, methyl 2-{8-benzyl-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H,8H-imidazo[1,2-g]purin-3-yl}acetate
| Molecular Formula | C19H19N5O4 |
|---|---|
| Molecular Weight | 381.14 g/mol |
| LogP | 0.67912 |
| 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 | 899384-21-5 |
|---|---|
| SMILES | CC1=CN2C3=C(N=C2N1CC4=CC=CC=C4)N(C(=O)N(C3=O)CC(=O)OC)C |
Product Overview
Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate (CAS 899384-21-5), with molecular formula C19H19N5O4 and molecular weight 381.14 g/mol. IUPAC: methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate.
Chemical Property Profile of Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate
Property Insights of Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate
The XLogP value of 0.67912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate. Following Lipinski's Rule of Five, Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate 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-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate?
The CAS number of Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate is 899384-21-5.
What is the molecular formula of Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate?
The molecular formula of Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate is C19H19N5O4.
What is the molecular weight of Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate?
The molecular weight of Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate is 381.14 g/mol.
Where can I buy Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate?
You can request a quote for Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-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-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(6-benzyl-4,7-dimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.