![(E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate structure](/static/products/107/107608-79-7.png)
(E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate
TL;DR: (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate (CAS 107608-79-7) is a chemical compound with molecular formula C24H19N5O5 and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-(6-benzyl-4-methyl-1,3,7-trioxopurino[7,8-a]imidazol-8-ylidene)methyl]phenyl] acetate
Also Known As: (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate, [2-[(E)-(6-benzyl-4-methyl-1,3,7-trioxopurino[7,8-a]imidazol-8-ylidene)methyl]phenyl] acetate, 2-[(E)-(8-benzyl-4-hydroxy-1-methyl-2,7-dioxo-1,2,7,8-tetrahydro-6H-imidazo[2,1-f]purin-6-ylidene)methyl]phenyl acetate
| Molecular Formula | C24H19N5O5 |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 0.5575 |
| Topological Polar Surface Area | 120.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.1386 |
| Heavy Atoms | 34 |
| Complexity | 1808.695 |
Chemical Identifiers
| CAS Number | 107608-79-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1/C=C/2\C(=O)N(C3=NC4=C(N23)C(=O)NC(=O)N4C)CC5=CC=CC=C5 |
Product Overview
(E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate (CAS 107608-79-7), with molecular formula C24H19N5O5 and molecular weight 457.14 g/mol. IUPAC: [2-[(E)-(6-benzyl-4-methyl-1,3,7-trioxopurino[7,8-a]imidazol-8-ylidene)methyl]phenyl] acetate.
Chemical Property Profile of (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate
Property Insights of (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate
The XLogP value of 0.5575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate. The TPSA of 120.46 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate. Following Lipinski's Rule of Five, (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate 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 (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate?
The CAS number of (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate is 107608-79-7.
What is the molecular formula of (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate?
The molecular formula of (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate is C24H19N5O5.
What is the molecular weight of (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate?
The molecular weight of (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate is 457.14 g/mol.
Where can I buy (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate?
You can request a quote for (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((8-benzyl-1-methyl-2,4,7-trioxo-3,4,7,8-tetrahydro-1H-imidazo[2,1-f]purin-6(2H)-ylidene)methyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.