![3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile structure](/static/products/849/849009-96-7.png)
3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile
TL;DR: 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile (CAS 849009-96-7) is a chemical compound with molecular formula C22H15ClN6O2 and molecular weight 430.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile
Also Known As: 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile, 3-(7-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-3,4-dihydro-1H-imidazo[2,1-f]purin-8(2H)-yl)benzonitrile, 3-[7-(4-chlorophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-8H-imidazo[2,1-f]purin-8-yl]benzonitrile
| Molecular Formula | C22H15ClN6O2 |
|---|---|
| Molecular Weight | 430.09 g/mol |
| LogP | 2.86768 |
| Topological Polar Surface Area | 90.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 430.0945 |
| Heavy Atoms | 31 |
| Complexity | 1661.7717 |
Chemical Identifiers
| CAS Number | 849009-96-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=CC(=C4)C#N)C5=CC=C(C=C5)Cl |
Product Overview
3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile (CAS 849009-96-7), with molecular formula C22H15ClN6O2 and molecular weight 430.09 g/mol. IUPAC: 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile.
Chemical Property Profile of 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile
Property Insights of 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile
The XLogP value of 2.86768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile. The TPSA of 90.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile. Following Lipinski's Rule of Five, 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile has 0 hydrogen bond donor(s) and 4 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 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile?
The CAS number of 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile is 849009-96-7.
What is the molecular formula of 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile?
The molecular formula of 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile is C22H15ClN6O2.
What is the molecular weight of 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile?
The molecular weight of 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile is 430.09 g/mol.
Where can I buy 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile?
You can request a quote for 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[7-(4-chlorophenyl)-2,4-dimethyl-1,3-dioxopurino[7,8-a]imidazol-6-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.