3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione
TL;DR: 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione (CAS 86257-17-2) is a chemical compound with molecular formula C17H28N4O4 and molecular weight 352.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)purine-2,6-dione
Also Known As: 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-, 7-(5,6-Dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione, 7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)purine-2,6-dione, RefChem:1074335
| Molecular Formula | C17H28N4O4 |
|---|---|
| Molecular Weight | 352.21 g/mol |
| LogP | 0.4663 |
| Topological Polar Surface Area | 102.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 352.21106 |
| Heavy Atoms | 25 |
| Complexity | 818.38776 |
Chemical Identifiers
| CAS Number | 86257-17-2 |
|---|---|
| SMILES | CC(C)CCN1C(=O)C2=C(N=CN2CCCCC(CO)O)N(C1=O)C |
Product Overview
3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione (CAS 86257-17-2), with molecular formula C17H28N4O4 and molecular weight 352.21 g/mol. IUPAC: 7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)purine-2,6-dione.
Chemical Property Profile of 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione
Property Insights of 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione
The XLogP value of 0.4663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione. The TPSA of 102.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione has 2 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 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione?
The CAS number of 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione is 86257-17-2.
What is the molecular formula of 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione?
The molecular formula of 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione is C17H28N4O4.
What is the molecular weight of 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione?
The molecular weight of 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione is 352.21 g/mol.
Where can I buy 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione?
You can request a quote for 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-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 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-methyl-1-(3-methylbutyl)-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.