8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione
TL;DR: 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione (CAS 304871-18-9) is a chemical compound with molecular formula C23H25N5O2 and molecular weight 403.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,4-dimethylanilino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione, 8-((3,4-dimethylphenyl)amino)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione, 8-[(3,4-dimethylphenyl)amino]-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C23H25N5O2 |
|---|---|
| Molecular Weight | 403.20 g/mol |
| LogP | 3.03684 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.20084 |
| Heavy Atoms | 30 |
| Complexity | 1346.2642 |
Chemical Identifiers
| CAS Number | 304871-18-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C |
Product Overview
8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione (CAS 304871-18-9), with molecular formula C23H25N5O2 and molecular weight 403.20 g/mol. IUPAC: 8-(3,4-dimethylanilino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione
Property Insights of 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione
The XLogP value of 3.03684 indicates that 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione has 1 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 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione?
The CAS number of 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione is 304871-18-9.
What is the molecular formula of 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione?
The molecular formula of 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione is C23H25N5O2.
What is the molecular weight of 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione?
The molecular weight of 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione is 403.20 g/mol.
Where can I buy 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione?
You can request a quote for 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(3,4-dimethylanilino)-1,3-dimethyl-7-phenethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.