7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione
TL;DR: 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione (CAS 682775-91-3) is a chemical compound with molecular formula C22H23N5O2 and molecular weight 389.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione
Also Known As: VU0488914-1, F1064-0053, 7-benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione, 7-benzyl-8-((4-ethylphenyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-benzyl-8-[(4-ethylphenyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C22H23N5O2 |
|---|---|
| Molecular Weight | 389.19 g/mol |
| LogP | 2.788 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.18518 |
| Heavy Atoms | 29 |
| Complexity | 1281.5198 |
Chemical Identifiers
| CAS Number | 682775-91-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)NC2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C |
Product Overview
7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione (CAS 682775-91-3), with molecular formula C22H23N5O2 and molecular weight 389.19 g/mol. IUPAC: 7-benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione
Property Insights of 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione
The XLogP value of 2.788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-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 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione?
The CAS number of 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione is 682775-91-3.
What is the molecular formula of 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione?
The molecular formula of 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione is C22H23N5O2.
What is the molecular weight of 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione?
The molecular weight of 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione is 389.19 g/mol.
Where can I buy 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione?
You can request a quote for 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-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 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-8-(4-ethylanilino)-1,3-dimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.