![2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione structure](/static/products/899/899987-52-1.png)
2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
TL;DR: 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione (CAS 899987-52-1) is a chemical compound with molecular formula C20H22ClN5O2 and molecular weight 399.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: F3124-0196, 2-butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione, 3-butyl-8-(3-chloro-4-methylphenyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 3-butyl-8-(3-chloro-4-methylphenyl)-1,7-dimethyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione, 3-butyl-8-(3-chloro-4-methylphenyl)-1,7-dimethyl-1,3,5-trihydro-4-imidazolino[ 1,2-h]purine-2,4-dione
| Molecular Formula | C20H22ClN5O2 |
|---|---|
| Molecular Weight | 399.15 g/mol |
| LogP | 3.20894 |
| Topological Polar Surface Area | 66.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.1462 |
| Heavy Atoms | 28 |
| Complexity | 1339.1176 |
Chemical Identifiers
| CAS Number | 899987-52-1 |
|---|---|
| SMILES | CCCCN1C(=O)C2=C(N=C3N2C=C(N3C4=CC(=C(C=C4)C)Cl)C)N(C1=O)C |
Product Overview
2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione (CAS 899987-52-1), with molecular formula C20H22ClN5O2 and molecular weight 399.15 g/mol. IUPAC: 2-butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
Property Insights of 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
The XLogP value of 3.20894 indicates that 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione. Following Lipinski's Rule of Five, 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione has 0 hydrogen bond donor(s) and 3 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 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
The CAS number of 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione is 899987-52-1.
What is the molecular formula of 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
The molecular formula of 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione is C20H22ClN5O2.
What is the molecular weight of 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
The molecular weight of 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione is 399.15 g/mol.
Where can I buy 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
You can request a quote for 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-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 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-6-(3-chloro-4-methylphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.