8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 585562-22-7) is a chemical compound with molecular formula C14H22N6O2 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: BAS 07401464, 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, AB00674465-01, F1468-0044, 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7H-purine-2,6-dione
| Molecular Formula | C14H22N6O2 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | -0.9022 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.18042 |
| Heavy Atoms | 22 |
| Complexity | 793.9916 |
Chemical Identifiers
| CAS Number | 585562-22-7 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C |
Product Overview
8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione (CAS 585562-22-7), with molecular formula C14H22N6O2 and molecular weight 306.18 g/mol. IUPAC: 8-[(4-ethylpiperazin-1-yl)methyl]-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of -0.9022 indicates that 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-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)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 585562-22-7.
What is the molecular formula of 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is C14H22N6O2.
What is the molecular weight of 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione is 306.18 g/mol.
Where can I buy 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-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)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-ethylpiperazin-1-yl)methyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.