![methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate structure](/static/products/862/862185-11-3.png)
methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate
TL;DR: methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate (CAS 862185-11-3) is a chemical compound with molecular formula C23H18FN5O4 and molecular weight 447.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate
Also Known As: methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate, methyl 4-(7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)benzoate, methyl 4-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]benzoate
| Molecular Formula | C23H18FN5O4 |
|---|---|
| Molecular Weight | 447.13 g/mol |
| LogP | 2.2683 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.13428 |
| Heavy Atoms | 33 |
| Complexity | 1671.7278 |
Chemical Identifiers
| CAS Number | 862185-11-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)C(=O)OC)C5=CC=C(C=C5)F |
Product Overview
methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate (CAS 862185-11-3), with molecular formula C23H18FN5O4 and molecular weight 447.13 g/mol. IUPAC: methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate.
Chemical Property Profile of methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate
Property Insights of methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate
The XLogP value of 2.2683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate 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 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate?
The CAS number of methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate is 862185-11-3.
What is the molecular formula of methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate?
The molecular formula of methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate is C23H18FN5O4.
What is the molecular weight of methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate?
The molecular weight of methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate is 447.13 g/mol.
Where can I buy methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate?
You can request a quote for methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[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 methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[7-(4-fluorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.