8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 476482-67-4) is a chemical compound with molecular formula C12H15N7O2 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-imidazol-1-ylpropylamino)-3-methyl-7H-purine-2,6-dione
Also Known As: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7H-purine-2,6-dione, 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione, 6-hydroxy-8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C12H15N7O2 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | -0.3514 |
| Topological Polar Surface Area | 113.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.12872 |
| Heavy Atoms | 21 |
| Complexity | 855.9839 |
Chemical Identifiers
| CAS Number | 476482-67-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)NC(=N2)NCCCN3C=CN=C3 |
Product Overview
8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione (CAS 476482-67-4), with molecular formula C12H15N7O2 and molecular weight 289.13 g/mol. IUPAC: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of -0.3514 indicates that 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione has 3 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-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is 476482-67-4.
What is the molecular formula of 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is C12H15N7O2.
What is the molecular weight of 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione is 289.13 g/mol.
Where can I buy 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-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-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.