![6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione structure](/static/products/847/847337-90-0.png)
6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
TL;DR: 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione (CAS 847337-90-0) is a chemical compound with molecular formula C23H18ClN5O4 and molecular weight 463.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione, 8-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 8-(benzo[d][1,3]dioxol-5-ylmethyl)-7-(4-chlorophenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
| Molecular Formula | C23H18ClN5O4 |
|---|---|
| Molecular Weight | 463.10 g/mol |
| LogP | 2.7838 |
| Topological Polar Surface Area | 84.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.10474 |
| Heavy Atoms | 33 |
| Complexity | 1691.2229 |
Chemical Identifiers
| CAS Number | 847337-90-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)Cl |
Product Overview
6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione (CAS 847337-90-0), with molecular formula C23H18ClN5O4 and molecular weight 463.10 g/mol. IUPAC: 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Property Insights of 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
The XLogP value of 2.7838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione. The TPSA of 84.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione. Following Lipinski's Rule of Five, 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione 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 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione?
The CAS number of 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione is 847337-90-0.
What is the molecular formula of 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione?
The molecular formula of 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione is C23H18ClN5O4.
What is the molecular weight of 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione?
The molecular weight of 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione is 463.10 g/mol.
Where can I buy 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione?
You can request a quote for 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,3-benzodioxol-5-ylmethyl)-7-(4-chlorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.