1-(6-Hydroxyhexyl)-3,7-dimethylxanthine
TL;DR: 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine (CAS 56395-71-2) is a chemical compound with molecular formula C13H20N4O3 and molecular weight 280.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione
Also Known As: 1-(6-hydroxyhexyl)-3,7-dimethylxanthine, 1-(6-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione, 1-(6-HYDROXYHEXYL)-3,7-DIMETHYLPURINE-2,6-DIONE, 1-(6-Hydroxyhexyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1-(6-hydroxyhexyl)-3,7-dimethyl-
| Molecular Formula | C13H20N4O3 |
|---|---|
| Molecular Weight | 280.15 g/mol |
| LogP | -0.0136 |
| Topological Polar Surface Area | 82.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.15353 |
| Heavy Atoms | 20 |
| Complexity | 710.7002 |
Chemical Identifiers
| CAS Number | 56395-71-2 |
|---|---|
| SMILES | CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCO |
Product Overview
1-(6-Hydroxyhexyl)-3,7-dimethylxanthine (CAS 56395-71-2), with molecular formula C13H20N4O3 and molecular weight 280.15 g/mol. IUPAC: 1-(6-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine
Property Insights of 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine
The XLogP value of -0.0136 indicates that 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine. Following Lipinski's Rule of Five, 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine 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 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine?
The CAS number of 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine is 56395-71-2.
What is the molecular formula of 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine?
The molecular formula of 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine is C13H20N4O3.
What is the molecular weight of 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine?
The molecular weight of 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine is 280.15 g/mol.
Where can I buy 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine?
You can request a quote for 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Hydroxyhexyl)-3,7-dimethylxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.