8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 442864-50-8) is a chemical compound with molecular formula C21H28N6O2 and molecular weight 396.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: BAS 04914642, 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, AB01303931-01, 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione, F1191-0034
| Molecular Formula | C21H28N6O2 |
|---|---|
| Molecular Weight | 396.23 g/mol |
| LogP | 1.198 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.2274 |
| Heavy Atoms | 29 |
| Complexity | 1090.0422 |
Chemical Identifiers
| CAS Number | 442864-50-8 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)NC(=O)N3C |
Product Overview
8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione (CAS 442864-50-8), with molecular formula C21H28N6O2 and molecular weight 396.23 g/mol. IUPAC: 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione has 1 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 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 442864-50-8.
What is the molecular formula of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is C21H28N6O2.
What is the molecular weight of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione is 396.23 g/mol.
Where can I buy 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(4-ethylpiperazin-1-yl)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.